USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 THR OG1 : rot 138:sc= 0.832 USER MOD Set 1.2: A 88 CYS SG : rot -115:sc= -0.996! USER MOD Set 2.1: A 45 CYS SG : rot 71:sc= -1.38! USER MOD Set 2.2: A 67 GLN : amide:sc= -3.07! C(o=-4.5!,f=-5.2!) USER MOD Set 3.1: A 18 CYS SG : rot 180:sc= 0.308 USER MOD Set 3.2: A 36 TYR OH : rot -39:sc= 0.198 USER MOD Set 4.1: A 6 SER OG : rot -110:sc= -0.243 USER MOD Set 4.2: A 15 ASN : amide:sc= -1.54 K(o=-1.8,f=-5.6!) USER MOD Set 5.1: A 5 SER OG : rot 15:sc= 0.308 USER MOD Set 5.2: A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.439 K(o=-0.44,f=-3!) USER MOD Single : A 26 ASN : amide:sc= -0.884 K(o=-0.88,f=-1.4!) USER MOD Single : A 28 ASN : amide:sc= -0.808 K(o=-0.81,f=-1.8) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 54 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.1!) USER MOD Single : A 55 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.125 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 80 LYS NZ :NH3+ -157:sc= -0.0671 (180deg=-0.812) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 82 LYS NZ :NH3+ 157:sc= 0.823 (180deg=0.29) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.775 K(o=-0.78,f=-2.4!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.35 K(o=0.35,f=-0.23) USER MOD Single : A 117 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.7!) USER MOD Single : A 119 SER OG : rot -150:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.635 -11.414 0.925 1.00 0.00 N ATOM 2 CA GLY A 1 15.270 -10.331 1.656 1.00 0.00 C ATOM 3 C GLY A 1 14.541 -10.057 2.973 1.00 0.00 C ATOM 4 O GLY A 1 14.523 -10.905 3.864 1.00 0.00 O ATOM 0 H1 GLY A 1 15.148 -11.580 0.036 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.652 -12.279 1.502 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.649 -11.159 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.311 -10.585 1.858 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.275 -9.429 1.045 1.00 0.00 H new ATOM 8 N SER A 2 13.958 -8.871 3.054 1.00 0.00 N ATOM 9 CA SER A 2 13.229 -8.475 4.248 1.00 0.00 C ATOM 10 C SER A 2 11.880 -7.867 3.859 1.00 0.00 C ATOM 11 O SER A 2 11.808 -6.700 3.476 1.00 0.00 O ATOM 12 CB SER A 2 14.038 -7.481 5.083 1.00 0.00 C ATOM 13 OG SER A 2 15.073 -8.123 5.823 1.00 0.00 O ATOM 0 H SER A 2 13.975 -8.171 2.313 1.00 0.00 H new ATOM 0 HA SER A 2 13.059 -9.364 4.855 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.475 -6.728 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.372 -6.958 5.770 1.00 0.00 H new ATOM 0 HG SER A 2 15.567 -7.454 6.342 1.00 0.00 H new ATOM 19 N SER A 3 10.844 -8.685 3.972 1.00 0.00 N ATOM 20 CA SER A 3 9.501 -8.243 3.638 1.00 0.00 C ATOM 21 C SER A 3 9.419 -7.898 2.149 1.00 0.00 C ATOM 22 O SER A 3 8.907 -8.685 1.354 1.00 0.00 O ATOM 23 CB SER A 3 9.091 -7.036 4.485 1.00 0.00 C ATOM 24 OG SER A 3 8.843 -7.396 5.841 1.00 0.00 O ATOM 0 H SER A 3 10.908 -9.652 4.290 1.00 0.00 H new ATOM 0 HA SER A 3 8.809 -9.057 3.855 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.878 -6.283 4.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.195 -6.582 4.061 1.00 0.00 H new ATOM 0 HG SER A 3 8.586 -6.599 6.349 1.00 0.00 H new ATOM 30 N GLY A 4 9.930 -6.722 1.818 1.00 0.00 N ATOM 31 CA GLY A 4 9.921 -6.264 0.439 1.00 0.00 C ATOM 32 C GLY A 4 8.863 -5.179 0.228 1.00 0.00 C ATOM 33 O GLY A 4 8.683 -4.309 1.079 1.00 0.00 O ATOM 0 H GLY A 4 10.353 -6.072 2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.904 -5.874 0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.722 -7.105 -0.226 1.00 0.00 H new ATOM 37 N SER A 5 8.189 -5.267 -0.909 1.00 0.00 N ATOM 38 CA SER A 5 7.154 -4.305 -1.242 1.00 0.00 C ATOM 39 C SER A 5 6.099 -4.959 -2.137 1.00 0.00 C ATOM 40 O SER A 5 6.307 -5.112 -3.339 1.00 0.00 O ATOM 41 CB SER A 5 7.746 -3.075 -1.934 1.00 0.00 C ATOM 42 OG SER A 5 8.368 -2.189 -1.007 1.00 0.00 O ATOM 0 H SER A 5 8.340 -5.991 -1.612 1.00 0.00 H new ATOM 0 HA SER A 5 6.683 -3.977 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.477 -3.394 -2.677 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.958 -2.545 -2.469 1.00 0.00 H new ATOM 0 HG SER A 5 8.496 -2.648 -0.151 1.00 0.00 H new ATOM 48 N SER A 6 4.988 -5.327 -1.515 1.00 0.00 N ATOM 49 CA SER A 6 3.900 -5.961 -2.239 1.00 0.00 C ATOM 50 C SER A 6 4.367 -7.297 -2.822 1.00 0.00 C ATOM 51 O SER A 6 5.516 -7.427 -3.241 1.00 0.00 O ATOM 52 CB SER A 6 3.375 -5.052 -3.352 1.00 0.00 C ATOM 53 OG SER A 6 2.694 -3.913 -2.833 1.00 0.00 O ATOM 0 H SER A 6 4.818 -5.198 -0.518 1.00 0.00 H new ATOM 0 HA SER A 6 3.084 -6.142 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.207 -4.724 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.699 -5.617 -3.994 1.00 0.00 H new ATOM 0 HG SER A 6 1.735 -3.993 -3.019 1.00 0.00 H new ATOM 59 N GLY A 7 3.453 -8.255 -2.829 1.00 0.00 N ATOM 60 CA GLY A 7 3.757 -9.576 -3.353 1.00 0.00 C ATOM 61 C GLY A 7 3.632 -9.603 -4.878 1.00 0.00 C ATOM 62 O GLY A 7 4.617 -9.823 -5.581 1.00 0.00 O ATOM 0 H GLY A 7 2.501 -8.143 -2.480 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.768 -9.863 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.079 -10.309 -2.916 1.00 0.00 H new ATOM 66 N MET A 8 2.413 -9.375 -5.344 1.00 0.00 N ATOM 67 CA MET A 8 2.147 -9.370 -6.773 1.00 0.00 C ATOM 68 C MET A 8 1.039 -8.374 -7.121 1.00 0.00 C ATOM 69 O MET A 8 -0.142 -8.713 -7.078 1.00 0.00 O ATOM 70 CB MET A 8 1.730 -10.773 -7.219 1.00 0.00 C ATOM 71 CG MET A 8 2.922 -11.732 -7.197 1.00 0.00 C ATOM 72 SD MET A 8 2.440 -13.321 -7.852 1.00 0.00 S ATOM 73 CE MET A 8 2.706 -13.032 -9.593 1.00 0.00 C ATOM 0 H MET A 8 1.599 -9.192 -4.758 1.00 0.00 H new ATOM 0 HA MET A 8 3.057 -9.069 -7.292 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.944 -11.148 -6.563 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.312 -10.730 -8.225 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.741 -11.320 -7.786 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.289 -11.846 -6.177 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.452 -13.931 -10.154 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.076 -12.207 -9.925 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.753 -12.781 -9.764 1.00 0.00 H new ATOM 83 N PRO A 9 1.472 -7.131 -7.466 1.00 0.00 N ATOM 84 CA PRO A 9 0.531 -6.083 -7.821 1.00 0.00 C ATOM 85 C PRO A 9 -0.041 -6.311 -9.222 1.00 0.00 C ATOM 86 O PRO A 9 0.267 -7.312 -9.867 1.00 0.00 O ATOM 87 CB PRO A 9 1.320 -4.790 -7.705 1.00 0.00 C ATOM 88 CG PRO A 9 2.786 -5.191 -7.744 1.00 0.00 C ATOM 89 CD PRO A 9 2.863 -6.693 -7.527 1.00 0.00 C ATOM 0 HA PRO A 9 -0.341 -6.062 -7.167 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.079 -4.111 -8.523 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.082 -4.269 -6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.231 -4.920 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 9 3.347 -4.664 -6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 9 3.397 -7.184 -8.341 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.394 -6.933 -6.606 1.00 0.00 H new ATOM 97 N TYR A 10 -0.865 -5.366 -9.651 1.00 0.00 N ATOM 98 CA TYR A 10 -1.482 -5.451 -10.964 1.00 0.00 C ATOM 99 C TYR A 10 -2.166 -4.134 -11.334 1.00 0.00 C ATOM 100 O TYR A 10 -2.217 -3.208 -10.527 1.00 0.00 O ATOM 101 CB TYR A 10 -2.541 -6.551 -10.860 1.00 0.00 C ATOM 102 CG TYR A 10 -2.026 -7.947 -11.217 1.00 0.00 C ATOM 103 CD1 TYR A 10 -1.641 -8.230 -12.511 1.00 0.00 C ATOM 104 CD2 TYR A 10 -1.947 -8.922 -10.243 1.00 0.00 C ATOM 105 CE1 TYR A 10 -1.156 -9.544 -12.846 1.00 0.00 C ATOM 106 CE2 TYR A 10 -1.462 -10.236 -10.578 1.00 0.00 C ATOM 107 CZ TYR A 10 -1.091 -10.482 -11.863 1.00 0.00 C ATOM 108 OH TYR A 10 -0.633 -11.723 -12.179 1.00 0.00 O ATOM 0 H TYR A 10 -1.120 -4.538 -9.113 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.734 -5.661 -11.728 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.933 -6.569 -9.843 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.374 -6.303 -11.518 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.703 -7.467 -13.272 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -2.249 -8.700 -9.230 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.851 -9.779 -13.855 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.394 -11.008 -9.826 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.641 -12.288 -11.378 1.00 0.00 H new ATOM 118 N VAL A 11 -2.675 -4.092 -12.557 1.00 0.00 N ATOM 119 CA VAL A 11 -3.354 -2.903 -13.045 1.00 0.00 C ATOM 120 C VAL A 11 -2.634 -1.659 -12.520 1.00 0.00 C ATOM 121 O VAL A 11 -1.444 -1.709 -12.212 1.00 0.00 O ATOM 122 CB VAL A 11 -4.833 -2.948 -12.654 1.00 0.00 C ATOM 123 CG1 VAL A 11 -5.053 -2.332 -11.271 1.00 0.00 C ATOM 124 CG2 VAL A 11 -5.699 -2.254 -13.708 1.00 0.00 C ATOM 0 H VAL A 11 -2.631 -4.862 -13.224 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.321 -2.863 -14.134 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.136 -3.994 -12.607 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.112 -2.376 -11.017 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.479 -2.887 -10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.725 -1.292 -11.279 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.746 -2.300 -13.407 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.393 -1.212 -13.801 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.576 -2.755 -14.668 1.00 0.00 H new ATOM 134 N ASP A 12 -3.386 -0.572 -12.435 1.00 0.00 N ATOM 135 CA ASP A 12 -2.835 0.683 -11.953 1.00 0.00 C ATOM 136 C ASP A 12 -2.761 0.650 -10.425 1.00 0.00 C ATOM 137 O ASP A 12 -3.406 -0.181 -9.787 1.00 0.00 O ATOM 138 CB ASP A 12 -3.719 1.865 -12.357 1.00 0.00 C ATOM 139 CG ASP A 12 -5.161 1.797 -11.849 1.00 0.00 C ATOM 140 OD1 ASP A 12 -5.373 2.207 -10.687 1.00 0.00 O ATOM 141 OD2 ASP A 12 -6.018 1.337 -12.634 1.00 0.00 O ATOM 0 H ASP A 12 -4.372 -0.534 -12.692 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.845 0.806 -12.392 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.263 2.784 -11.988 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.736 1.932 -13.445 1.00 0.00 H new ATOM 146 N ARG A 13 -1.969 1.563 -9.882 1.00 0.00 N ATOM 147 CA ARG A 13 -1.802 1.648 -8.442 1.00 0.00 C ATOM 148 C ARG A 13 -1.281 0.320 -7.888 1.00 0.00 C ATOM 149 O ARG A 13 -1.964 -0.343 -7.109 1.00 0.00 O ATOM 150 CB ARG A 13 -3.123 1.996 -7.754 1.00 0.00 C ATOM 151 CG ARG A 13 -3.394 3.500 -7.816 1.00 0.00 C ATOM 152 CD ARG A 13 -4.749 3.787 -8.467 1.00 0.00 C ATOM 153 NE ARG A 13 -5.354 4.996 -7.865 1.00 0.00 N ATOM 154 CZ ARG A 13 -6.368 5.681 -8.412 1.00 0.00 C ATOM 155 NH1 ARG A 13 -6.896 5.279 -9.576 1.00 0.00 N ATOM 156 NH2 ARG A 13 -6.853 6.767 -7.796 1.00 0.00 N ATOM 0 H ARG A 13 -1.436 2.251 -10.414 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.080 2.439 -8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.940 1.456 -8.233 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.092 1.671 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.374 3.918 -6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.603 3.993 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.623 3.929 -9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.414 2.933 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.976 5.329 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.526 4.452 -10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.668 5.800 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.451 7.073 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.625 7.288 -8.213 1.00 0.00 H new ATOM 170 N GLN A 14 -0.075 -0.030 -8.313 1.00 0.00 N ATOM 171 CA GLN A 14 0.545 -1.266 -7.870 1.00 0.00 C ATOM 172 C GLN A 14 0.576 -1.327 -6.341 1.00 0.00 C ATOM 173 O GLN A 14 0.487 -2.406 -5.757 1.00 0.00 O ATOM 174 CB GLN A 14 1.952 -1.414 -8.453 1.00 0.00 C ATOM 175 CG GLN A 14 2.816 -0.197 -8.115 1.00 0.00 C ATOM 176 CD GLN A 14 3.566 0.303 -9.351 1.00 0.00 C ATOM 177 OE1 GLN A 14 3.460 -0.244 -10.437 1.00 0.00 O ATOM 178 NE2 GLN A 14 4.327 1.370 -9.127 1.00 0.00 N ATOM 0 H GLN A 14 0.489 0.522 -8.960 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.054 -2.100 -8.235 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.419 -2.317 -8.060 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.891 -1.532 -9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 14 2.188 0.601 -7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.529 -0.459 -7.333 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.370 1.779 -8.193 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.867 1.780 -9.889 1.00 0.00 H new ATOM 187 N ASN A 15 0.701 -0.154 -5.737 1.00 0.00 N ATOM 188 CA ASN A 15 0.745 -0.060 -4.288 1.00 0.00 C ATOM 189 C ASN A 15 0.827 1.412 -3.879 1.00 0.00 C ATOM 190 O ASN A 15 0.209 1.823 -2.898 1.00 0.00 O ATOM 191 CB ASN A 15 1.974 -0.776 -3.726 1.00 0.00 C ATOM 192 CG ASN A 15 3.200 -0.537 -4.610 1.00 0.00 C ATOM 193 OD1 ASN A 15 3.685 0.572 -4.756 1.00 0.00 O ATOM 194 ND2 ASN A 15 3.672 -1.638 -5.189 1.00 0.00 N ATOM 0 H ASN A 15 0.773 0.739 -6.225 1.00 0.00 H new ATOM 0 HA ASN A 15 -0.157 -0.528 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.175 -0.421 -2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.775 -1.845 -3.655 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.488 -1.584 -5.798 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.217 -2.536 -5.024 1.00 0.00 H new ATOM 201 N ARG A 16 1.595 2.165 -4.651 1.00 0.00 N ATOM 202 CA ARG A 16 1.767 3.583 -4.381 1.00 0.00 C ATOM 203 C ARG A 16 0.593 4.378 -4.958 1.00 0.00 C ATOM 204 O ARG A 16 0.054 4.025 -6.005 1.00 0.00 O ATOM 205 CB ARG A 16 3.073 4.105 -4.984 1.00 0.00 C ATOM 206 CG ARG A 16 3.008 5.617 -5.208 1.00 0.00 C ATOM 207 CD ARG A 16 4.412 6.216 -5.313 1.00 0.00 C ATOM 208 NE ARG A 16 4.405 7.358 -6.255 1.00 0.00 N ATOM 209 CZ ARG A 16 4.252 7.238 -7.580 1.00 0.00 C ATOM 210 NH1 ARG A 16 4.091 6.026 -8.129 1.00 0.00 N ATOM 211 NH2 ARG A 16 4.259 8.329 -8.357 1.00 0.00 N ATOM 0 H ARG A 16 2.106 1.821 -5.464 1.00 0.00 H new ATOM 0 HA ARG A 16 1.803 3.713 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.904 3.868 -4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.267 3.602 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.449 5.830 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.469 6.087 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.750 6.546 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.116 5.457 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 16 4.524 8.295 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.085 5.195 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.974 5.935 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.381 9.252 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.142 8.237 -9.366 1.00 0.00 H new ATOM 225 N ILE A 17 0.233 5.438 -4.249 1.00 0.00 N ATOM 226 CA ILE A 17 -0.866 6.286 -4.677 1.00 0.00 C ATOM 227 C ILE A 17 -0.393 7.740 -4.727 1.00 0.00 C ATOM 228 O ILE A 17 0.632 8.084 -4.141 1.00 0.00 O ATOM 229 CB ILE A 17 -2.090 6.068 -3.785 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.362 6.577 -4.465 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.884 6.702 -2.407 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.559 5.686 -4.126 1.00 0.00 C ATOM 0 H ILE A 17 0.683 5.729 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.183 6.019 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.214 4.996 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.564 7.600 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.217 6.601 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.768 6.533 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.016 6.252 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.721 7.774 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.450 6.070 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.364 4.669 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.717 5.683 -3.047 1.00 0.00 H new ATOM 244 N CYS A 18 -1.162 8.556 -5.433 1.00 0.00 N ATOM 245 CA CYS A 18 -0.835 9.965 -5.568 1.00 0.00 C ATOM 246 C CYS A 18 -2.139 10.748 -5.728 1.00 0.00 C ATOM 247 O CYS A 18 -3.144 10.202 -6.180 1.00 0.00 O ATOM 248 CB CYS A 18 0.127 10.213 -6.731 1.00 0.00 C ATOM 249 SG CYS A 18 -0.672 9.756 -8.313 1.00 0.00 S ATOM 0 H CYS A 18 -2.012 8.268 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.315 10.308 -4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.421 11.262 -6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.037 9.629 -6.592 1.00 0.00 H new ATOM 0 HG CYS A 18 0.153 9.973 -9.294 1.00 0.00 H new ATOM 255 N GLY A 19 -2.081 12.016 -5.349 1.00 0.00 N ATOM 256 CA GLY A 19 -3.245 12.880 -5.445 1.00 0.00 C ATOM 257 C GLY A 19 -3.191 13.992 -4.395 1.00 0.00 C ATOM 258 O GLY A 19 -2.621 13.809 -3.320 1.00 0.00 O ATOM 0 H GLY A 19 -1.246 12.466 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.296 13.318 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.152 12.291 -5.309 1.00 0.00 H new ATOM 262 N PHE A 20 -3.791 15.121 -4.743 1.00 0.00 N ATOM 263 CA PHE A 20 -3.819 16.262 -3.845 1.00 0.00 C ATOM 264 C PHE A 20 -4.886 16.083 -2.763 1.00 0.00 C ATOM 265 O PHE A 20 -6.067 15.930 -3.071 1.00 0.00 O ATOM 266 CB PHE A 20 -4.167 17.489 -4.690 1.00 0.00 C ATOM 267 CG PHE A 20 -3.178 17.764 -5.824 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.352 17.172 -7.036 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.126 18.601 -5.621 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.434 17.427 -8.089 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.208 18.856 -6.674 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.382 18.264 -7.886 1.00 0.00 C ATOM 0 H PHE A 20 -4.262 15.270 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.853 16.369 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.162 17.355 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.212 18.364 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.188 16.508 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.989 19.072 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.571 16.956 -9.051 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.372 19.520 -6.512 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.684 18.459 -8.687 1.00 0.00 H new ATOM 282 N LEU A 21 -4.432 16.107 -1.519 1.00 0.00 N ATOM 283 CA LEU A 21 -5.333 15.950 -0.390 1.00 0.00 C ATOM 284 C LEU A 21 -5.391 17.260 0.398 1.00 0.00 C ATOM 285 O LEU A 21 -4.514 18.111 0.260 1.00 0.00 O ATOM 286 CB LEU A 21 -4.926 14.741 0.456 1.00 0.00 C ATOM 287 CG LEU A 21 -4.853 13.402 -0.280 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.239 12.320 0.611 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.228 12.993 -0.812 1.00 0.00 C ATOM 0 H LEU A 21 -3.451 16.233 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.345 15.742 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.951 14.944 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.635 14.643 1.278 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.196 13.521 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.199 11.378 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.230 12.616 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.850 12.195 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.148 12.038 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.926 12.897 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.591 13.753 -1.504 1.00 0.00 H new ATOM 301 N ASP A 22 -6.434 17.381 1.206 1.00 0.00 N ATOM 302 CA ASP A 22 -6.618 18.573 2.016 1.00 0.00 C ATOM 303 C ASP A 22 -6.433 18.216 3.492 1.00 0.00 C ATOM 304 O ASP A 22 -7.382 17.804 4.158 1.00 0.00 O ATOM 305 CB ASP A 22 -8.026 19.146 1.841 1.00 0.00 C ATOM 306 CG ASP A 22 -8.632 18.959 0.449 1.00 0.00 C ATOM 307 OD1 ASP A 22 -8.644 17.797 -0.013 1.00 0.00 O ATOM 308 OD2 ASP A 22 -9.070 19.981 -0.122 1.00 0.00 O ATOM 0 H ASP A 22 -7.160 16.673 1.317 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.885 19.314 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.685 18.680 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.999 20.212 2.069 1.00 0.00 H new ATOM 313 N ILE A 23 -5.206 18.387 3.960 1.00 0.00 N ATOM 314 CA ILE A 23 -4.884 18.087 5.345 1.00 0.00 C ATOM 315 C ILE A 23 -5.108 19.337 6.198 1.00 0.00 C ATOM 316 O ILE A 23 -4.624 20.417 5.862 1.00 0.00 O ATOM 317 CB ILE A 23 -3.471 17.512 5.455 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.138 17.147 6.903 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.441 18.471 4.855 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.892 16.262 6.973 1.00 0.00 C ATOM 0 H ILE A 23 -4.422 18.730 3.405 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.548 17.314 5.731 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.431 16.591 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.976 18.056 7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.983 16.627 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.445 18.038 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.669 18.638 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.474 19.421 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.678 16.017 8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.066 15.343 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.043 16.794 6.543 1.00 0.00 H new ATOM 332 N GLU A 24 -5.841 19.150 7.285 1.00 0.00 N ATOM 333 CA GLU A 24 -6.135 20.249 8.189 1.00 0.00 C ATOM 334 C GLU A 24 -4.914 20.563 9.056 1.00 0.00 C ATOM 335 O GLU A 24 -4.319 19.663 9.646 1.00 0.00 O ATOM 336 CB GLU A 24 -7.357 19.936 9.055 1.00 0.00 C ATOM 337 CG GLU A 24 -8.075 21.220 9.475 1.00 0.00 C ATOM 338 CD GLU A 24 -8.811 21.027 10.803 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.301 19.898 11.021 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.866 22.013 11.569 1.00 0.00 O ATOM 0 H GLU A 24 -6.241 18.253 7.561 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.370 21.131 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.044 19.295 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.047 19.382 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.352 22.031 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.784 21.514 8.701 1.00 0.00 H new ATOM 347 N ASP A 25 -4.579 21.844 9.107 1.00 0.00 N ATOM 348 CA ASP A 25 -3.440 22.288 9.893 1.00 0.00 C ATOM 349 C ASP A 25 -3.940 22.992 11.156 1.00 0.00 C ATOM 350 O ASP A 25 -5.127 23.291 11.275 1.00 0.00 O ATOM 351 CB ASP A 25 -2.582 23.282 9.106 1.00 0.00 C ATOM 352 CG ASP A 25 -1.420 23.894 9.890 1.00 0.00 C ATOM 353 OD1 ASP A 25 -0.871 23.171 10.749 1.00 0.00 O ATOM 354 OD2 ASP A 25 -1.105 25.072 9.612 1.00 0.00 O ATOM 0 H ASP A 25 -5.076 22.588 8.617 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.841 21.412 10.143 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.182 22.777 8.227 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.223 24.087 8.747 1.00 0.00 H new ATOM 359 N ASN A 26 -3.010 23.236 12.067 1.00 0.00 N ATOM 360 CA ASN A 26 -3.342 23.898 13.317 1.00 0.00 C ATOM 361 C ASN A 26 -3.187 25.411 13.144 1.00 0.00 C ATOM 362 O ASN A 26 -3.109 26.146 14.127 1.00 0.00 O ATOM 363 CB ASN A 26 -2.406 23.452 14.442 1.00 0.00 C ATOM 364 CG ASN A 26 -2.919 23.928 15.803 1.00 0.00 C ATOM 365 OD1 ASN A 26 -2.551 24.979 16.301 1.00 0.00 O ATOM 366 ND2 ASN A 26 -3.786 23.098 16.374 1.00 0.00 N ATOM 0 H ASN A 26 -2.026 22.987 11.965 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.368 23.635 13.576 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.322 22.365 14.441 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.406 23.849 14.267 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.186 23.325 17.284 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.051 22.234 15.902 1.00 0.00 H new ATOM 373 N GLU A 27 -3.147 25.829 11.888 1.00 0.00 N ATOM 374 CA GLU A 27 -3.002 27.241 11.574 1.00 0.00 C ATOM 375 C GLU A 27 -4.202 28.028 12.104 1.00 0.00 C ATOM 376 O GLU A 27 -4.035 29.016 12.818 1.00 0.00 O ATOM 377 CB GLU A 27 -2.829 27.453 10.069 1.00 0.00 C ATOM 378 CG GLU A 27 -1.545 28.228 9.768 1.00 0.00 C ATOM 379 CD GLU A 27 -1.831 29.435 8.872 1.00 0.00 C ATOM 380 OE1 GLU A 27 -2.390 30.418 9.405 1.00 0.00 O ATOM 381 OE2 GLU A 27 -1.483 29.348 7.675 1.00 0.00 O ATOM 0 H GLU A 27 -3.212 25.216 11.076 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.103 27.612 12.066 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.802 26.488 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.687 27.997 9.674 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.091 28.562 10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.825 27.571 9.280 1.00 0.00 H new ATOM 388 N ASN A 28 -5.386 27.561 11.735 1.00 0.00 N ATOM 389 CA ASN A 28 -6.613 28.209 12.165 1.00 0.00 C ATOM 390 C ASN A 28 -7.689 27.147 12.404 1.00 0.00 C ATOM 391 O ASN A 28 -7.387 26.043 12.855 1.00 0.00 O ATOM 392 CB ASN A 28 -7.130 29.173 11.096 1.00 0.00 C ATOM 393 CG ASN A 28 -5.977 29.936 10.441 1.00 0.00 C ATOM 394 OD1 ASN A 28 -5.207 30.626 11.090 1.00 0.00 O ATOM 395 ND2 ASN A 28 -5.900 29.773 9.123 1.00 0.00 N ATOM 0 H ASN A 28 -5.521 26.741 11.143 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.399 28.764 13.078 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.681 28.618 10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.829 29.879 11.545 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.164 30.240 8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.577 29.181 8.642 1.00 0.00 H new ATOM 402 N SER A 29 -8.922 27.518 12.091 1.00 0.00 N ATOM 403 CA SER A 29 -10.043 26.612 12.266 1.00 0.00 C ATOM 404 C SER A 29 -10.847 26.517 10.967 1.00 0.00 C ATOM 405 O SER A 29 -11.744 27.324 10.727 1.00 0.00 O ATOM 406 CB SER A 29 -10.945 27.066 13.415 1.00 0.00 C ATOM 407 OG SER A 29 -10.584 26.453 14.650 1.00 0.00 O ATOM 0 H SER A 29 -9.169 28.434 11.717 1.00 0.00 H new ATOM 0 HA SER A 29 -9.650 25.627 12.516 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.885 28.150 13.517 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.982 26.825 13.180 1.00 0.00 H new ATOM 0 HG SER A 29 -11.182 26.769 15.359 1.00 0.00 H new ATOM 413 N GLY A 30 -10.497 25.524 10.163 1.00 0.00 N ATOM 414 CA GLY A 30 -11.174 25.313 8.895 1.00 0.00 C ATOM 415 C GLY A 30 -10.238 25.600 7.719 1.00 0.00 C ATOM 416 O GLY A 30 -10.681 26.053 6.665 1.00 0.00 O ATOM 0 H GLY A 30 -9.753 24.856 10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.532 24.285 8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.049 25.960 8.834 1.00 0.00 H new ATOM 420 N LYS A 31 -8.961 25.323 7.939 1.00 0.00 N ATOM 421 CA LYS A 31 -7.959 25.545 6.911 1.00 0.00 C ATOM 422 C LYS A 31 -7.277 24.218 6.574 1.00 0.00 C ATOM 423 O LYS A 31 -6.966 23.431 7.468 1.00 0.00 O ATOM 424 CB LYS A 31 -6.986 26.645 7.340 1.00 0.00 C ATOM 425 CG LYS A 31 -5.784 26.713 6.396 1.00 0.00 C ATOM 426 CD LYS A 31 -5.618 28.121 5.820 1.00 0.00 C ATOM 427 CE LYS A 31 -6.304 28.240 4.457 1.00 0.00 C ATOM 428 NZ LYS A 31 -7.000 29.541 4.339 1.00 0.00 N ATOM 0 H LYS A 31 -8.597 24.947 8.815 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.427 25.905 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.500 27.606 7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.644 26.456 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.879 26.427 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.914 25.997 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.041 28.852 6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.558 28.354 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.565 28.143 3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.018 27.426 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.460 29.605 3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.719 29.619 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.311 30.314 4.439 1.00 0.00 H new ATOM 442 N PHE A 32 -7.064 24.009 5.283 1.00 0.00 N ATOM 443 CA PHE A 32 -6.424 22.791 4.818 1.00 0.00 C ATOM 444 C PHE A 32 -5.259 23.108 3.878 1.00 0.00 C ATOM 445 O PHE A 32 -5.353 24.014 3.051 1.00 0.00 O ATOM 446 CB PHE A 32 -7.482 21.995 4.050 1.00 0.00 C ATOM 447 CG PHE A 32 -8.783 21.781 4.825 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.665 22.806 4.971 1.00 0.00 C ATOM 449 CD2 PHE A 32 -9.059 20.565 5.369 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.873 22.607 5.690 1.00 0.00 C ATOM 451 CE2 PHE A 32 -10.267 20.366 6.088 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.148 21.391 6.234 1.00 0.00 C ATOM 0 H PHE A 32 -7.324 24.663 4.545 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.029 22.231 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.707 22.514 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.067 21.024 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.446 23.772 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.359 19.751 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.573 23.421 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.486 19.400 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.066 21.240 6.782 1.00 0.00 H new ATOM 462 N LEU A 33 -4.188 22.343 4.036 1.00 0.00 N ATOM 463 CA LEU A 33 -3.007 22.531 3.211 1.00 0.00 C ATOM 464 C LEU A 33 -3.095 21.619 1.986 1.00 0.00 C ATOM 465 O LEU A 33 -2.822 20.423 2.078 1.00 0.00 O ATOM 466 CB LEU A 33 -1.737 22.327 4.040 1.00 0.00 C ATOM 467 CG LEU A 33 -1.509 23.328 5.175 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.020 23.632 5.347 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.332 24.599 4.959 1.00 0.00 C ATOM 0 H LEU A 33 -4.114 21.592 4.723 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.959 23.556 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.762 21.324 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.879 22.367 3.369 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.855 22.875 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.114 24.346 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.515 22.711 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.374 24.056 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.151 25.293 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.040 25.066 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.391 24.345 4.925 1.00 0.00 H new ATOM 481 N ARG A 34 -3.476 22.218 0.868 1.00 0.00 N ATOM 482 CA ARG A 34 -3.603 21.475 -0.374 1.00 0.00 C ATOM 483 C ARG A 34 -2.220 21.125 -0.927 1.00 0.00 C ATOM 484 O ARG A 34 -1.538 21.980 -1.490 1.00 0.00 O ATOM 485 CB ARG A 34 -4.375 22.280 -1.421 1.00 0.00 C ATOM 486 CG ARG A 34 -4.591 21.458 -2.694 1.00 0.00 C ATOM 487 CD ARG A 34 -4.176 22.251 -3.935 1.00 0.00 C ATOM 488 NE ARG A 34 -4.254 21.388 -5.136 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.035 21.819 -6.386 1.00 0.00 C ATOM 490 NH1 ARG A 34 -3.725 23.104 -6.607 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.128 20.966 -7.414 1.00 0.00 N ATOM 0 H ARG A 34 -3.701 23.210 0.796 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.154 20.560 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.339 22.585 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.827 23.191 -1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.014 20.535 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.640 21.173 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.825 23.118 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.161 22.628 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.489 20.404 -5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.656 23.754 -5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.558 23.432 -7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.365 19.988 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.961 21.294 -8.365 1.00 0.00 H new ATOM 505 N ARG A 35 -1.847 19.866 -0.747 1.00 0.00 N ATOM 506 CA ARG A 35 -0.558 19.393 -1.221 1.00 0.00 C ATOM 507 C ARG A 35 -0.715 18.044 -1.927 1.00 0.00 C ATOM 508 O ARG A 35 -1.674 17.316 -1.677 1.00 0.00 O ATOM 509 CB ARG A 35 0.433 19.243 -0.064 1.00 0.00 C ATOM 510 CG ARG A 35 0.555 20.548 0.725 1.00 0.00 C ATOM 511 CD ARG A 35 1.298 21.611 -0.086 1.00 0.00 C ATOM 512 NE ARG A 35 1.478 22.834 0.728 1.00 0.00 N ATOM 513 CZ ARG A 35 0.569 23.814 0.822 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.589 23.721 0.154 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.818 24.888 1.585 1.00 0.00 N ATOM 0 H ARG A 35 -2.415 19.160 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.171 20.132 -1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.105 18.442 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.410 18.956 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.438 20.913 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.083 20.364 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.269 21.228 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.739 21.846 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 35 2.348 22.937 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.779 22.904 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.281 24.467 0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.699 24.959 2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.126 25.634 1.657 1.00 0.00 H new ATOM 529 N TYR A 36 0.243 17.752 -2.795 1.00 0.00 N ATOM 530 CA TYR A 36 0.223 16.505 -3.539 1.00 0.00 C ATOM 531 C TYR A 36 0.860 15.373 -2.729 1.00 0.00 C ATOM 532 O TYR A 36 2.083 15.287 -2.633 1.00 0.00 O ATOM 533 CB TYR A 36 1.061 16.750 -4.796 1.00 0.00 C ATOM 534 CG TYR A 36 0.929 15.654 -5.855 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.296 15.402 -6.439 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.035 14.916 -6.226 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.419 14.370 -7.436 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.912 13.884 -7.223 1.00 0.00 C ATOM 539 CZ TYR A 36 0.690 13.662 -7.779 1.00 0.00 C ATOM 540 OH TYR A 36 0.573 12.688 -8.720 1.00 0.00 O ATOM 0 H TYR A 36 1.038 18.358 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.801 16.212 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.768 17.703 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.109 16.840 -4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.162 15.978 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.993 15.113 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.371 14.163 -7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.770 13.300 -7.522 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.274 12.211 -8.594 1.00 0.00 H new ATOM 550 N PHE A 37 0.002 14.534 -2.168 1.00 0.00 N ATOM 551 CA PHE A 37 0.465 13.412 -1.370 1.00 0.00 C ATOM 552 C PHE A 37 0.863 12.233 -2.260 1.00 0.00 C ATOM 553 O PHE A 37 0.227 11.980 -3.282 1.00 0.00 O ATOM 554 CB PHE A 37 -0.701 12.988 -0.475 1.00 0.00 C ATOM 555 CG PHE A 37 -0.900 13.881 0.752 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.960 15.232 0.607 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.016 13.324 1.987 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.145 16.060 1.746 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.201 14.152 3.125 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.261 15.503 2.981 1.00 0.00 C ATOM 0 H PHE A 37 -1.012 14.609 -2.250 1.00 0.00 H new ATOM 0 HA PHE A 37 1.339 13.705 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.618 12.989 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.537 11.963 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.867 15.675 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.967 12.251 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.194 17.133 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.294 13.709 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.401 16.133 3.847 1.00 0.00 H new ATOM 570 N ILE A 38 1.914 11.544 -1.840 1.00 0.00 N ATOM 571 CA ILE A 38 2.404 10.398 -2.586 1.00 0.00 C ATOM 572 C ILE A 38 2.741 9.266 -1.613 1.00 0.00 C ATOM 573 O ILE A 38 3.727 9.344 -0.882 1.00 0.00 O ATOM 574 CB ILE A 38 3.574 10.804 -3.485 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.090 11.639 -4.672 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.373 9.579 -3.933 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.251 12.393 -5.323 1.00 0.00 C ATOM 0 H ILE A 38 2.440 11.758 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 38 1.631 10.023 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 38 4.249 11.432 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.615 10.990 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.333 12.349 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.198 9.896 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.768 9.062 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.723 8.904 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.879 12.978 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.708 13.059 -4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.994 11.680 -5.678 1.00 0.00 H new ATOM 589 N LEU A 39 1.902 8.241 -1.634 1.00 0.00 N ATOM 590 CA LEU A 39 2.098 7.095 -0.763 1.00 0.00 C ATOM 591 C LEU A 39 3.209 6.211 -1.332 1.00 0.00 C ATOM 592 O LEU A 39 2.979 5.445 -2.267 1.00 0.00 O ATOM 593 CB LEU A 39 0.776 6.357 -0.543 1.00 0.00 C ATOM 594 CG LEU A 39 0.749 5.362 0.619 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.799 6.088 1.965 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.461 4.430 0.515 1.00 0.00 C ATOM 0 H LEU A 39 1.084 8.180 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 39 2.424 7.419 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.008 7.097 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.524 5.823 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 39 1.642 4.740 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.779 5.357 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.716 6.674 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.062 6.751 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.456 3.733 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.377 5.020 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.412 3.873 -0.421 1.00 0.00 H new ATOM 608 N ASP A 40 4.389 6.346 -0.745 1.00 0.00 N ATOM 609 CA ASP A 40 5.536 5.569 -1.182 1.00 0.00 C ATOM 610 C ASP A 40 5.718 4.368 -0.251 1.00 0.00 C ATOM 611 O ASP A 40 5.885 4.534 0.956 1.00 0.00 O ATOM 612 CB ASP A 40 6.817 6.403 -1.134 1.00 0.00 C ATOM 613 CG ASP A 40 8.015 5.792 -1.865 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.895 4.614 -2.264 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.023 6.518 -2.007 1.00 0.00 O ATOM 0 H ASP A 40 4.575 6.982 0.030 1.00 0.00 H new ATOM 0 HA ASP A 40 5.354 5.247 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.610 7.384 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.090 6.562 -0.091 1.00 0.00 H new ATOM 620 N THR A 41 5.678 3.186 -0.848 1.00 0.00 N ATOM 621 CA THR A 41 5.836 1.958 -0.088 1.00 0.00 C ATOM 622 C THR A 41 7.320 1.637 0.104 1.00 0.00 C ATOM 623 O THR A 41 7.677 0.817 0.948 1.00 0.00 O ATOM 624 CB THR A 41 5.064 0.852 -0.809 1.00 0.00 C ATOM 625 OG1 THR A 41 5.907 0.495 -1.901 1.00 0.00 O ATOM 626 CG2 THR A 41 3.788 1.369 -1.477 1.00 0.00 C ATOM 0 H THR A 41 5.538 3.053 -1.850 1.00 0.00 H new ATOM 0 HA THR A 41 5.424 2.059 0.916 1.00 0.00 H new ATOM 0 HB THR A 41 4.809 0.065 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.483 -0.219 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.278 0.544 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.131 1.800 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.045 2.132 -2.211 1.00 0.00 H new ATOM 634 N GLN A 42 8.144 2.300 -0.694 1.00 0.00 N ATOM 635 CA GLN A 42 9.581 2.095 -0.623 1.00 0.00 C ATOM 636 C GLN A 42 10.181 2.934 0.507 1.00 0.00 C ATOM 637 O GLN A 42 10.955 2.426 1.318 1.00 0.00 O ATOM 638 CB GLN A 42 10.248 2.421 -1.961 1.00 0.00 C ATOM 639 CG GLN A 42 11.707 2.835 -1.760 1.00 0.00 C ATOM 640 CD GLN A 42 12.575 2.373 -2.932 1.00 0.00 C ATOM 641 OE1 GLN A 42 13.406 1.487 -2.812 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.336 3.019 -4.070 1.00 0.00 N ATOM 0 H GLN A 42 7.844 2.980 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 42 9.768 1.043 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.200 1.552 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.703 3.225 -2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.771 3.919 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.086 2.407 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.626 3.751 -4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.863 2.783 -4.911 1.00 0.00 H new ATOM 651 N ALA A 43 9.801 4.203 0.525 1.00 0.00 N ATOM 652 CA ALA A 43 10.292 5.116 1.543 1.00 0.00 C ATOM 653 C ALA A 43 9.611 4.802 2.876 1.00 0.00 C ATOM 654 O ALA A 43 10.126 5.148 3.938 1.00 0.00 O ATOM 655 CB ALA A 43 10.054 6.559 1.092 1.00 0.00 C ATOM 0 H ALA A 43 9.159 4.620 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 43 11.366 4.991 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.422 7.244 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.583 6.740 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.987 6.722 0.942 1.00 0.00 H new ATOM 661 N ASN A 44 8.462 4.149 2.778 1.00 0.00 N ATOM 662 CA ASN A 44 7.705 3.784 3.963 1.00 0.00 C ATOM 663 C ASN A 44 7.305 5.053 4.718 1.00 0.00 C ATOM 664 O ASN A 44 7.124 5.024 5.934 1.00 0.00 O ATOM 665 CB ASN A 44 8.541 2.916 4.905 1.00 0.00 C ATOM 666 CG ASN A 44 7.678 2.336 6.027 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.686 1.664 5.798 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.109 2.633 7.250 1.00 0.00 N ATOM 0 H ASN A 44 8.037 3.863 1.896 1.00 0.00 H new ATOM 0 HA ASN A 44 6.826 3.224 3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.005 2.106 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.348 3.511 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.601 2.293 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.948 3.201 7.371 1.00 0.00 H new ATOM 675 N CYS A 45 7.179 6.136 3.966 1.00 0.00 N ATOM 676 CA CYS A 45 6.804 7.413 4.549 1.00 0.00 C ATOM 677 C CYS A 45 5.970 8.183 3.523 1.00 0.00 C ATOM 678 O CYS A 45 6.210 8.083 2.321 1.00 0.00 O ATOM 679 CB CYS A 45 8.029 8.209 5.002 1.00 0.00 C ATOM 680 SG CYS A 45 9.248 7.091 5.785 1.00 0.00 S ATOM 0 H CYS A 45 7.330 6.156 2.957 1.00 0.00 H new ATOM 0 HA CYS A 45 6.209 7.245 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.482 8.713 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.729 8.984 5.707 1.00 0.00 H new ATOM 0 HG CYS A 45 9.796 6.341 4.875 1.00 0.00 H new ATOM 686 N LEU A 46 5.006 8.935 4.036 1.00 0.00 N ATOM 687 CA LEU A 46 4.135 9.721 3.179 1.00 0.00 C ATOM 688 C LEU A 46 4.709 11.133 3.035 1.00 0.00 C ATOM 689 O LEU A 46 5.003 11.792 4.031 1.00 0.00 O ATOM 690 CB LEU A 46 2.699 9.692 3.705 1.00 0.00 C ATOM 691 CG LEU A 46 1.639 10.315 2.794 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.004 11.756 2.433 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.410 9.453 1.551 1.00 0.00 C ATOM 0 H LEU A 46 4.810 9.016 5.034 1.00 0.00 H new ATOM 0 HA LEU A 46 4.093 9.289 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.423 8.655 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.674 10.208 4.665 1.00 0.00 H new ATOM 0 HG LEU A 46 0.696 10.349 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.234 12.175 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.076 12.352 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.962 11.769 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.652 9.918 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.342 9.364 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.072 8.462 1.853 1.00 0.00 H new ATOM 705 N LEU A 47 4.851 11.554 1.787 1.00 0.00 N ATOM 706 CA LEU A 47 5.383 12.875 1.499 1.00 0.00 C ATOM 707 C LEU A 47 4.396 13.636 0.612 1.00 0.00 C ATOM 708 O LEU A 47 3.997 13.145 -0.442 1.00 0.00 O ATOM 709 CB LEU A 47 6.789 12.768 0.904 1.00 0.00 C ATOM 710 CG LEU A 47 7.749 11.815 1.619 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.694 11.139 0.623 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.511 12.538 2.731 1.00 0.00 C ATOM 0 H LEU A 47 4.607 11.004 0.964 1.00 0.00 H new ATOM 0 HA LEU A 47 5.494 13.450 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.699 12.450 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.235 13.763 0.895 1.00 0.00 H new ATOM 0 HG LEU A 47 7.161 11.027 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.366 10.467 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.112 10.570 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.278 11.898 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.186 11.838 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.087 13.359 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.803 12.933 3.460 1.00 0.00 H new ATOM 724 N TRP A 48 4.031 14.824 1.072 1.00 0.00 N ATOM 725 CA TRP A 48 3.098 15.658 0.334 1.00 0.00 C ATOM 726 C TRP A 48 3.832 16.935 -0.080 1.00 0.00 C ATOM 727 O TRP A 48 4.331 17.671 0.769 1.00 0.00 O ATOM 728 CB TRP A 48 1.838 15.932 1.157 1.00 0.00 C ATOM 729 CG TRP A 48 2.105 16.642 2.486 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.389 17.935 2.688 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.100 16.040 3.798 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.568 18.211 4.029 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.386 17.021 4.725 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.862 14.710 4.188 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.461 16.777 6.101 1.00 0.00 C ATOM 736 CZ3 TRP A 48 1.940 14.483 5.567 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.227 15.460 6.513 1.00 0.00 C ATOM 0 H TRP A 48 4.365 15.229 1.947 1.00 0.00 H new ATOM 0 HA TRP A 48 2.752 15.148 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.154 16.539 0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.334 14.986 1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.468 18.670 1.901 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.792 19.120 4.434 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.637 13.926 3.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.687 17.563 6.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.765 13.478 5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.269 15.204 7.561 1.00 0.00 H new ATOM 748 N TYR A 49 3.873 17.159 -1.385 1.00 0.00 N ATOM 749 CA TYR A 49 4.537 18.335 -1.922 1.00 0.00 C ATOM 750 C TYR A 49 3.523 19.309 -2.526 1.00 0.00 C ATOM 751 O TYR A 49 2.454 18.899 -2.976 1.00 0.00 O ATOM 752 CB TYR A 49 5.461 17.828 -3.031 1.00 0.00 C ATOM 753 CG TYR A 49 6.373 16.676 -2.602 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.851 15.411 -2.428 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.718 16.904 -2.389 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.709 14.327 -2.025 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.576 15.820 -1.986 1.00 0.00 C ATOM 758 CZ TYR A 49 8.029 14.585 -1.824 1.00 0.00 C ATOM 759 OH TYR A 49 8.840 13.562 -1.443 1.00 0.00 O ATOM 0 H TYR A 49 3.457 16.546 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 49 5.077 18.863 -1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.854 17.502 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.078 18.655 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.799 15.234 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.126 17.895 -2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.313 13.332 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.630 15.984 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 49 9.756 13.893 -1.338 1.00 0.00 H new ATOM 769 N MET A 50 3.895 20.581 -2.516 1.00 0.00 N ATOM 770 CA MET A 50 3.031 21.617 -3.057 1.00 0.00 C ATOM 771 C MET A 50 2.471 21.207 -4.421 1.00 0.00 C ATOM 772 O MET A 50 1.348 21.569 -4.769 1.00 0.00 O ATOM 773 CB MET A 50 3.824 22.918 -3.201 1.00 0.00 C ATOM 774 CG MET A 50 4.304 23.421 -1.839 1.00 0.00 C ATOM 775 SD MET A 50 4.417 25.202 -1.850 1.00 0.00 S ATOM 776 CE MET A 50 3.059 25.606 -0.765 1.00 0.00 C ATOM 0 H MET A 50 4.782 20.917 -2.142 1.00 0.00 H new ATOM 0 HA MET A 50 2.196 21.763 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.681 22.755 -3.855 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.201 23.677 -3.674 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.615 23.097 -1.059 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.277 22.988 -1.605 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.986 26.689 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.130 25.219 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.230 25.158 0.214 1.00 0.00 H new ATOM 786 N ASP A 51 3.279 20.457 -5.156 1.00 0.00 N ATOM 787 CA ASP A 51 2.877 19.994 -6.473 1.00 0.00 C ATOM 788 C ASP A 51 3.742 18.796 -6.873 1.00 0.00 C ATOM 789 O ASP A 51 4.675 18.433 -6.158 1.00 0.00 O ATOM 790 CB ASP A 51 3.070 21.088 -7.524 1.00 0.00 C ATOM 791 CG ASP A 51 1.781 21.761 -8.001 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.737 21.074 -7.970 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.869 22.947 -8.386 1.00 0.00 O ATOM 0 H ASP A 51 4.210 20.159 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 51 1.823 19.720 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.731 21.852 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.578 20.657 -8.387 1.00 0.00 H new ATOM 798 N ASN A 52 3.401 18.216 -8.014 1.00 0.00 N ATOM 799 CA ASN A 52 4.135 17.068 -8.518 1.00 0.00 C ATOM 800 C ASN A 52 5.636 17.334 -8.398 1.00 0.00 C ATOM 801 O ASN A 52 6.112 18.405 -8.771 1.00 0.00 O ATOM 802 CB ASN A 52 3.816 16.814 -9.993 1.00 0.00 C ATOM 803 CG ASN A 52 2.437 16.172 -10.154 1.00 0.00 C ATOM 804 OD1 ASN A 52 1.565 16.293 -9.309 1.00 0.00 O ATOM 805 ND2 ASN A 52 2.289 15.483 -11.282 1.00 0.00 N ATOM 0 H ASN A 52 2.626 18.520 -8.604 1.00 0.00 H new ATOM 0 HA ASN A 52 3.843 16.197 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.849 17.754 -10.543 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.576 16.164 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.405 15.016 -11.482 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.060 15.422 -11.947 1.00 0.00 H new ATOM 812 N PRO A 53 6.360 16.315 -7.861 1.00 0.00 N ATOM 813 CA PRO A 53 7.798 16.429 -7.687 1.00 0.00 C ATOM 814 C PRO A 53 8.525 16.286 -9.025 1.00 0.00 C ATOM 815 O PRO A 53 9.732 16.512 -9.107 1.00 0.00 O ATOM 816 CB PRO A 53 8.161 15.336 -6.694 1.00 0.00 C ATOM 817 CG PRO A 53 6.997 14.359 -6.705 1.00 0.00 C ATOM 818 CD PRO A 53 5.830 15.032 -7.408 1.00 0.00 C ATOM 0 HA PRO A 53 8.101 17.407 -7.312 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.089 14.841 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.314 15.749 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.275 13.440 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.721 14.082 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.474 14.433 -8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.986 15.169 -6.732 1.00 0.00 H new ATOM 826 N GLN A 54 7.761 15.913 -10.041 1.00 0.00 N ATOM 827 CA GLN A 54 8.318 15.738 -11.372 1.00 0.00 C ATOM 828 C GLN A 54 8.441 17.090 -12.077 1.00 0.00 C ATOM 829 O GLN A 54 9.187 17.222 -13.047 1.00 0.00 O ATOM 830 CB GLN A 54 7.473 14.765 -12.196 1.00 0.00 C ATOM 831 CG GLN A 54 6.139 15.398 -12.595 1.00 0.00 C ATOM 832 CD GLN A 54 5.942 15.355 -14.111 1.00 0.00 C ATOM 833 OE1 GLN A 54 6.727 14.780 -14.849 1.00 0.00 O ATOM 834 NE2 GLN A 54 4.854 15.992 -14.535 1.00 0.00 N ATOM 0 H GLN A 54 6.761 15.727 -9.970 1.00 0.00 H new ATOM 0 HA GLN A 54 9.315 15.309 -11.274 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.021 14.470 -13.091 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.291 13.858 -11.620 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.321 14.871 -12.104 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.105 16.431 -12.250 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.239 16.453 -13.864 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.635 16.020 -15.531 1.00 0.00 H new ATOM 843 N ASN A 55 7.699 18.060 -11.564 1.00 0.00 N ATOM 844 CA ASN A 55 7.716 19.397 -12.133 1.00 0.00 C ATOM 845 C ASN A 55 8.557 20.314 -11.243 1.00 0.00 C ATOM 846 O ASN A 55 9.053 21.343 -11.699 1.00 0.00 O ATOM 847 CB ASN A 55 6.304 19.980 -12.212 1.00 0.00 C ATOM 848 CG ASN A 55 5.595 19.530 -13.491 1.00 0.00 C ATOM 849 OD1 ASN A 55 6.174 18.905 -14.365 1.00 0.00 O ATOM 850 ND2 ASN A 55 4.314 19.882 -13.553 1.00 0.00 N ATOM 0 H ASN A 55 7.082 17.947 -10.760 1.00 0.00 H new ATOM 0 HA ASN A 55 8.135 19.331 -13.137 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.727 19.665 -11.342 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.354 21.068 -12.184 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.754 19.629 -14.367 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.891 20.405 -12.786 1.00 0.00 H new ATOM 857 N LEU A 56 8.692 19.908 -9.989 1.00 0.00 N ATOM 858 CA LEU A 56 9.465 20.681 -9.031 1.00 0.00 C ATOM 859 C LEU A 56 10.929 20.717 -9.474 1.00 0.00 C ATOM 860 O LEU A 56 11.260 20.272 -10.572 1.00 0.00 O ATOM 861 CB LEU A 56 9.264 20.135 -7.616 1.00 0.00 C ATOM 862 CG LEU A 56 7.908 20.429 -6.970 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.952 20.170 -5.463 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.442 21.849 -7.295 1.00 0.00 C ATOM 0 H LEU A 56 8.279 19.054 -9.614 1.00 0.00 H new ATOM 0 HA LEU A 56 9.115 21.713 -9.003 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.405 19.055 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.046 20.544 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 56 7.172 19.745 -7.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.976 20.386 -5.028 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.207 19.126 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.704 20.813 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.476 22.032 -6.824 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.171 22.566 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.346 21.962 -8.375 1.00 0.00 H new ATOM 876 N ALA A 57 11.766 21.252 -8.598 1.00 0.00 N ATOM 877 CA ALA A 57 13.187 21.352 -8.885 1.00 0.00 C ATOM 878 C ALA A 57 13.946 20.323 -8.044 1.00 0.00 C ATOM 879 O ALA A 57 13.496 19.944 -6.965 1.00 0.00 O ATOM 880 CB ALA A 57 13.661 22.783 -8.623 1.00 0.00 C ATOM 0 H ALA A 57 11.488 21.621 -7.689 1.00 0.00 H new ATOM 0 HA ALA A 57 13.384 21.130 -9.934 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.727 22.858 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.112 23.472 -9.265 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.483 23.040 -7.579 1.00 0.00 H new ATOM 886 N VAL A 58 15.086 19.901 -8.572 1.00 0.00 N ATOM 887 CA VAL A 58 15.913 18.924 -7.884 1.00 0.00 C ATOM 888 C VAL A 58 16.098 19.355 -6.427 1.00 0.00 C ATOM 889 O VAL A 58 16.083 18.521 -5.523 1.00 0.00 O ATOM 890 CB VAL A 58 17.237 18.742 -8.627 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.760 20.082 -9.151 1.00 0.00 C ATOM 892 CG2 VAL A 58 18.277 18.058 -7.737 1.00 0.00 C ATOM 0 H VAL A 58 15.456 20.218 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 58 15.425 17.949 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 58 17.053 18.095 -9.485 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.703 19.925 -9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.031 20.514 -9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.919 20.763 -8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.209 17.941 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.455 18.668 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.909 17.078 -7.435 1.00 0.00 H new ATOM 902 N GLY A 59 16.270 20.656 -6.246 1.00 0.00 N ATOM 903 CA GLY A 59 16.458 21.207 -4.915 1.00 0.00 C ATOM 904 C GLY A 59 15.113 21.505 -4.249 1.00 0.00 C ATOM 905 O GLY A 59 14.977 22.496 -3.533 1.00 0.00 O ATOM 0 H GLY A 59 16.283 21.344 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.023 20.504 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.048 22.122 -4.976 1.00 0.00 H new ATOM 909 N ALA A 60 14.154 20.629 -4.509 1.00 0.00 N ATOM 910 CA ALA A 60 12.824 20.786 -3.944 1.00 0.00 C ATOM 911 C ALA A 60 12.655 19.816 -2.773 1.00 0.00 C ATOM 912 O ALA A 60 13.545 19.014 -2.493 1.00 0.00 O ATOM 913 CB ALA A 60 11.776 20.568 -5.037 1.00 0.00 C ATOM 0 H ALA A 60 14.271 19.808 -5.103 1.00 0.00 H new ATOM 0 HA ALA A 60 12.687 21.796 -3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.779 20.686 -4.613 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.921 21.300 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.880 19.563 -5.446 1.00 0.00 H new ATOM 919 N GLY A 61 11.507 19.921 -2.120 1.00 0.00 N ATOM 920 CA GLY A 61 11.210 19.064 -0.985 1.00 0.00 C ATOM 921 C GLY A 61 9.711 19.060 -0.678 1.00 0.00 C ATOM 922 O GLY A 61 8.918 19.624 -1.431 1.00 0.00 O ATOM 0 H GLY A 61 10.771 20.587 -2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.545 18.048 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 61 11.763 19.408 -0.111 1.00 0.00 H new ATOM 926 N ALA A 62 9.368 18.418 0.428 1.00 0.00 N ATOM 927 CA ALA A 62 7.978 18.333 0.844 1.00 0.00 C ATOM 928 C ALA A 62 7.752 19.257 2.043 1.00 0.00 C ATOM 929 O ALA A 62 8.624 19.393 2.899 1.00 0.00 O ATOM 930 CB ALA A 62 7.625 16.877 1.155 1.00 0.00 C ATOM 0 H ALA A 62 10.028 17.951 1.050 1.00 0.00 H new ATOM 0 HA ALA A 62 7.317 18.664 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.582 16.814 1.467 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.774 16.268 0.263 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.266 16.510 1.957 1.00 0.00 H new ATOM 936 N VAL A 63 6.576 19.867 2.065 1.00 0.00 N ATOM 937 CA VAL A 63 6.224 20.773 3.145 1.00 0.00 C ATOM 938 C VAL A 63 6.110 19.985 4.451 1.00 0.00 C ATOM 939 O VAL A 63 6.270 20.544 5.534 1.00 0.00 O ATOM 940 CB VAL A 63 4.944 21.535 2.793 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.162 22.440 1.579 1.00 0.00 C ATOM 942 CG2 VAL A 63 3.780 20.571 2.556 1.00 0.00 C ATOM 0 H VAL A 63 5.855 19.752 1.353 1.00 0.00 H new ATOM 0 HA VAL A 63 7.004 21.521 3.284 1.00 0.00 H new ATOM 0 HB VAL A 63 4.687 22.169 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.238 22.970 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.949 23.161 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.455 21.834 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.883 21.138 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.025 19.900 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.602 19.987 3.459 1.00 0.00 H new ATOM 952 N GLY A 64 5.833 18.697 4.305 1.00 0.00 N ATOM 953 CA GLY A 64 5.696 17.826 5.460 1.00 0.00 C ATOM 954 C GLY A 64 5.945 16.365 5.077 1.00 0.00 C ATOM 955 O GLY A 64 5.991 16.029 3.895 1.00 0.00 O ATOM 0 H GLY A 64 5.700 18.236 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.402 18.128 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.696 17.930 5.882 1.00 0.00 H new ATOM 959 N SER A 65 6.099 15.537 6.100 1.00 0.00 N ATOM 960 CA SER A 65 6.342 14.121 5.885 1.00 0.00 C ATOM 961 C SER A 65 5.647 13.300 6.974 1.00 0.00 C ATOM 962 O SER A 65 5.440 13.785 8.085 1.00 0.00 O ATOM 963 CB SER A 65 7.841 13.816 5.866 1.00 0.00 C ATOM 964 OG SER A 65 8.499 14.300 7.033 1.00 0.00 O ATOM 0 H SER A 65 6.060 15.820 7.079 1.00 0.00 H new ATOM 0 HA SER A 65 5.931 13.847 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.991 12.739 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.292 14.267 4.982 1.00 0.00 H new ATOM 0 HG SER A 65 9.454 14.084 6.984 1.00 0.00 H new ATOM 970 N LEU A 66 5.307 12.070 6.617 1.00 0.00 N ATOM 971 CA LEU A 66 4.640 11.178 7.550 1.00 0.00 C ATOM 972 C LEU A 66 5.318 9.807 7.511 1.00 0.00 C ATOM 973 O LEU A 66 5.567 9.264 6.436 1.00 0.00 O ATOM 974 CB LEU A 66 3.138 11.129 7.263 1.00 0.00 C ATOM 975 CG LEU A 66 2.223 11.587 8.401 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.752 11.507 7.987 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.501 10.796 9.681 1.00 0.00 C ATOM 0 H LEU A 66 5.481 11.670 5.695 1.00 0.00 H new ATOM 0 HA LEU A 66 4.735 11.552 8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.935 11.747 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.872 10.106 6.999 1.00 0.00 H new ATOM 0 HG LEU A 66 2.442 12.633 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.123 11.838 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.582 12.148 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.502 10.478 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.837 11.141 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.327 9.736 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.537 10.947 9.984 1.00 0.00 H new ATOM 989 N GLN A 67 5.598 9.287 8.697 1.00 0.00 N ATOM 990 CA GLN A 67 6.243 7.990 8.812 1.00 0.00 C ATOM 991 C GLN A 67 5.193 6.884 8.932 1.00 0.00 C ATOM 992 O GLN A 67 4.409 6.868 9.880 1.00 0.00 O ATOM 993 CB GLN A 67 7.209 7.961 9.999 1.00 0.00 C ATOM 994 CG GLN A 67 7.949 9.293 10.135 1.00 0.00 C ATOM 995 CD GLN A 67 8.287 9.876 8.762 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.720 10.862 8.321 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.240 9.214 8.113 1.00 0.00 N ATOM 0 H GLN A 67 5.390 9.740 9.587 1.00 0.00 H new ATOM 0 HA GLN A 67 6.826 7.814 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.658 7.751 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.928 7.153 9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.334 9.999 10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.865 9.147 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.674 8.396 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.537 9.525 7.188 1.00 0.00 H new ATOM 1006 N LEU A 68 5.211 5.986 7.958 1.00 0.00 N ATOM 1007 CA LEU A 68 4.270 4.879 7.943 1.00 0.00 C ATOM 1008 C LEU A 68 4.435 4.058 9.224 1.00 0.00 C ATOM 1009 O LEU A 68 3.536 3.311 9.607 1.00 0.00 O ATOM 1010 CB LEU A 68 4.429 4.058 6.662 1.00 0.00 C ATOM 1011 CG LEU A 68 4.249 4.823 5.349 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.446 3.899 4.145 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.895 5.535 5.310 1.00 0.00 C ATOM 0 H LEU A 68 5.863 6.002 7.173 1.00 0.00 H new ATOM 0 HA LEU A 68 3.245 5.250 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.421 3.607 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.708 3.241 6.686 1.00 0.00 H new ATOM 0 HG LEU A 68 5.019 5.593 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.313 4.467 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.451 3.479 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.714 3.092 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.793 6.071 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.095 4.800 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.832 6.242 6.137 1.00 0.00 H new ATOM 1025 N THR A 69 5.591 4.224 9.851 1.00 0.00 N ATOM 1026 CA THR A 69 5.885 3.507 11.080 1.00 0.00 C ATOM 1027 C THR A 69 4.988 4.006 12.215 1.00 0.00 C ATOM 1028 O THR A 69 4.758 3.290 13.189 1.00 0.00 O ATOM 1029 CB THR A 69 7.378 3.663 11.372 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.525 3.173 12.702 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.807 5.129 11.466 1.00 0.00 C ATOM 0 H THR A 69 6.335 4.844 9.531 1.00 0.00 H new ATOM 0 HA THR A 69 5.668 2.443 10.980 1.00 0.00 H new ATOM 0 HB THR A 69 7.954 3.166 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.465 3.236 12.972 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.876 5.183 11.675 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.596 5.631 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.256 5.619 12.269 1.00 0.00 H new ATOM 1039 N TYR A 70 4.507 5.229 12.052 1.00 0.00 N ATOM 1040 CA TYR A 70 3.641 5.832 13.051 1.00 0.00 C ATOM 1041 C TYR A 70 2.193 5.368 12.874 1.00 0.00 C ATOM 1042 O TYR A 70 1.584 4.851 13.810 1.00 0.00 O ATOM 1043 CB TYR A 70 3.712 7.342 12.816 1.00 0.00 C ATOM 1044 CG TYR A 70 5.053 7.969 13.201 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.113 7.163 13.564 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.203 9.341 13.185 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.375 7.753 13.926 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.466 9.931 13.547 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.489 9.108 13.900 1.00 0.00 C ATOM 1050 OH TYR A 70 8.682 9.666 14.242 1.00 0.00 O ATOM 0 H TYR A 70 4.700 5.819 11.243 1.00 0.00 H new ATOM 0 HA TYR A 70 3.959 5.550 14.055 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.517 7.545 11.763 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.919 7.826 13.386 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.996 6.089 13.576 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.374 9.972 12.901 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.212 7.134 14.212 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.597 11.003 13.538 1.00 0.00 H new ATOM 0 HH TYR A 70 8.617 10.642 14.177 1.00 0.00 H new ATOM 1060 N ILE A 71 1.685 5.568 11.667 1.00 0.00 N ATOM 1061 CA ILE A 71 0.321 5.177 11.355 1.00 0.00 C ATOM 1062 C ILE A 71 0.040 3.799 11.958 1.00 0.00 C ATOM 1063 O ILE A 71 0.902 2.922 11.938 1.00 0.00 O ATOM 1064 CB ILE A 71 0.074 5.251 9.847 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.138 6.697 9.351 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.247 4.575 9.474 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.396 6.934 8.513 1.00 0.00 C ATOM 0 H ILE A 71 2.194 5.996 10.893 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.387 5.873 11.805 1.00 0.00 H new ATOM 0 HB ILE A 71 0.870 4.702 9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.747 6.921 8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.130 7.378 10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.398 4.642 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.216 3.527 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.069 5.074 9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.417 7.969 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.280 6.733 9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.389 6.269 7.650 1.00 0.00 H new ATOM 1079 N SER A 72 -1.169 3.652 12.479 1.00 0.00 N ATOM 1080 CA SER A 72 -1.575 2.395 13.086 1.00 0.00 C ATOM 1081 C SER A 72 -2.810 1.844 12.372 1.00 0.00 C ATOM 1082 O SER A 72 -2.906 0.642 12.129 1.00 0.00 O ATOM 1083 CB SER A 72 -1.859 2.572 14.579 1.00 0.00 C ATOM 1084 OG SER A 72 -1.707 1.351 15.299 1.00 0.00 O ATOM 0 H SER A 72 -1.881 4.382 12.494 1.00 0.00 H new ATOM 0 HA SER A 72 -0.756 1.684 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.184 3.322 14.990 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.873 2.948 14.713 1.00 0.00 H new ATOM 0 HG SER A 72 -1.895 1.505 16.248 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.725 2.748 12.056 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.950 2.367 11.374 1.00 0.00 C ATOM 1092 C LYS A 73 -5.480 3.562 10.579 1.00 0.00 C ATOM 1093 O LYS A 73 -5.322 4.709 10.996 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.962 1.795 12.370 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.345 1.661 11.731 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.214 2.882 12.042 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.620 2.903 13.517 1.00 0.00 C ATOM 1098 NZ LYS A 73 -10.044 2.527 13.668 1.00 0.00 N ATOM 0 H LYS A 73 -3.643 3.744 12.260 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.754 1.569 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.623 0.820 12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.023 2.443 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.241 1.549 10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.834 0.759 12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.668 3.793 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.106 2.867 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.994 2.213 14.083 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.454 3.897 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.303 2.546 14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.638 3.201 13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.192 1.569 13.291 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.096 3.253 9.448 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.649 4.287 8.590 1.00 0.00 C ATOM 1114 C VAL A 74 -8.138 4.016 8.366 1.00 0.00 C ATOM 1115 O VAL A 74 -8.504 3.200 7.522 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.853 4.367 7.286 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.327 5.539 6.424 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.352 4.463 7.564 1.00 0.00 C ATOM 0 H VAL A 74 -6.225 2.301 9.105 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.565 5.264 9.067 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.032 3.448 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.744 5.573 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.382 5.409 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.193 6.471 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.810 4.519 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.148 5.357 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.027 3.582 8.117 1.00 0.00 H new ATOM 1128 N SER A 75 -8.957 4.716 9.137 1.00 0.00 N ATOM 1129 CA SER A 75 -10.398 4.561 9.034 1.00 0.00 C ATOM 1130 C SER A 75 -11.022 5.835 8.462 1.00 0.00 C ATOM 1131 O SER A 75 -10.418 6.905 8.517 1.00 0.00 O ATOM 1132 CB SER A 75 -11.016 4.232 10.394 1.00 0.00 C ATOM 1133 OG SER A 75 -12.372 4.661 10.483 1.00 0.00 O ATOM 0 H SER A 75 -8.650 5.392 9.836 1.00 0.00 H new ATOM 0 HA SER A 75 -10.604 3.729 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.964 3.157 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.433 4.709 11.182 1.00 0.00 H new ATOM 0 HG SER A 75 -12.731 4.431 11.366 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.223 5.679 7.926 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.936 6.804 7.344 1.00 0.00 C ATOM 1141 C ILE A 76 -13.348 7.771 8.456 1.00 0.00 C ATOM 1142 O ILE A 76 -13.796 7.345 9.519 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.107 6.313 6.491 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.632 5.321 5.427 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.870 7.489 5.878 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.464 5.896 4.624 1.00 0.00 C ATOM 0 H ILE A 76 -12.721 4.790 7.882 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.287 7.356 6.665 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.803 5.781 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.327 4.390 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.456 5.080 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.697 7.112 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.260 8.124 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.197 8.070 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.146 5.171 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.780 6.814 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.633 6.113 5.295 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.181 9.054 8.171 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.530 10.085 9.134 1.00 0.00 C ATOM 1160 C ALA A 77 -15.051 10.243 9.177 1.00 0.00 C ATOM 1161 O ALA A 77 -15.702 10.306 8.135 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.819 11.389 8.766 1.00 0.00 C ATOM 0 H ALA A 77 -12.809 9.403 7.288 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.199 9.804 10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.081 12.162 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.741 11.231 8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.129 11.704 7.769 1.00 0.00 H new ATOM 1168 N THR A 78 -15.574 10.302 10.393 1.00 0.00 N ATOM 1169 CA THR A 78 -17.006 10.451 10.586 1.00 0.00 C ATOM 1170 C THR A 78 -17.369 11.926 10.765 1.00 0.00 C ATOM 1171 O THR A 78 -16.499 12.794 10.714 1.00 0.00 O ATOM 1172 CB THR A 78 -17.418 9.575 11.771 1.00 0.00 C ATOM 1173 OG1 THR A 78 -17.417 10.470 12.880 1.00 0.00 O ATOM 1174 CG2 THR A 78 -16.353 8.537 12.129 1.00 0.00 C ATOM 0 H THR A 78 -15.031 10.249 11.255 1.00 0.00 H new ATOM 0 HA THR A 78 -17.560 10.117 9.709 1.00 0.00 H new ATOM 0 HB THR A 78 -18.355 9.069 11.540 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.675 9.985 13.692 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.695 7.942 12.976 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.179 7.884 11.274 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.425 9.044 12.393 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.690 12.171 10.978 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.179 13.526 11.165 1.00 0.00 C ATOM 1184 C PRO A 79 -18.823 14.050 12.558 1.00 0.00 C ATOM 1185 O PRO A 79 -18.514 15.229 12.721 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.678 13.440 10.929 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.039 11.971 11.076 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.749 11.168 11.044 1.00 0.00 C ATOM 0 HA PRO A 79 -18.721 14.237 10.477 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.223 14.050 11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -20.939 13.809 9.937 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.571 11.801 12.012 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.703 11.659 10.270 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.649 10.544 11.932 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.718 10.502 10.182 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.879 13.148 13.526 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.566 13.504 14.900 1.00 0.00 C ATOM 1198 C LYS A 80 -17.100 13.935 14.989 1.00 0.00 C ATOM 1199 O LYS A 80 -16.688 14.547 15.973 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.929 12.359 15.847 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.448 12.895 17.182 1.00 0.00 C ATOM 1202 CD LYS A 80 -20.958 13.137 17.126 1.00 0.00 C ATOM 1203 CE LYS A 80 -21.730 11.890 17.563 1.00 0.00 C ATOM 1204 NZ LYS A 80 -22.023 11.027 16.397 1.00 0.00 N ATOM 0 H LYS A 80 -19.136 12.171 13.387 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.169 14.354 15.220 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.688 11.727 15.385 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.054 11.733 16.018 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.219 12.185 17.977 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -18.936 13.825 17.428 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -21.220 13.976 17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -21.248 13.412 16.112 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -21.148 11.334 18.298 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -22.661 12.183 18.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -22.842 10.422 16.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -22.237 11.621 15.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -21.196 10.431 16.190 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.353 13.597 13.948 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.942 13.941 13.897 1.00 0.00 C ATOM 1220 C GLN A 81 -14.693 15.003 12.824 1.00 0.00 C ATOM 1221 O GLN A 81 -14.082 16.035 13.098 1.00 0.00 O ATOM 1222 CB GLN A 81 -14.084 12.699 13.648 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.982 11.840 14.911 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.537 11.408 15.165 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.942 11.709 16.186 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -12.007 10.686 14.181 1.00 0.00 N ATOM 0 H GLN A 81 -16.698 13.089 13.134 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.654 14.354 14.863 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.516 12.111 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.087 13.000 13.327 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.353 12.402 15.768 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.616 10.959 14.808 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.561 10.469 13.352 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.047 10.349 14.256 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.179 14.714 11.626 1.00 0.00 N ATOM 1236 CA LYS A 82 -15.018 15.631 10.511 1.00 0.00 C ATOM 1237 C LYS A 82 -16.225 15.512 9.579 1.00 0.00 C ATOM 1238 O LYS A 82 -16.196 14.752 8.613 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.677 15.395 9.814 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.664 16.478 10.191 1.00 0.00 C ATOM 1241 CD LYS A 82 -12.643 17.597 9.149 1.00 0.00 C ATOM 1242 CE LYS A 82 -11.548 18.619 9.463 1.00 0.00 C ATOM 1243 NZ LYS A 82 -12.013 19.579 10.489 1.00 0.00 N ATOM 0 H LYS A 82 -15.685 13.857 11.403 1.00 0.00 H new ATOM 0 HA LYS A 82 -14.990 16.661 10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.287 14.415 10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.821 15.387 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.915 16.891 11.168 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.671 16.038 10.277 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.477 17.173 8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.613 18.094 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.654 18.106 9.816 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.271 19.154 8.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.192 19.999 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.570 20.330 10.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.604 19.083 11.186 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.286 16.296 9.911 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.501 16.286 9.114 1.00 0.00 C ATOM 1259 C PRO A 83 -18.303 17.049 7.803 1.00 0.00 C ATOM 1260 O PRO A 83 -17.183 17.427 7.463 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.562 16.908 10.008 1.00 0.00 C ATOM 1262 CG PRO A 83 -18.806 17.663 11.089 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.356 17.209 11.048 1.00 0.00 C ATOM 0 HA PRO A 83 -18.795 15.282 8.807 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.206 17.580 9.440 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.204 16.142 10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.874 18.738 10.922 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.241 17.464 12.069 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -16.680 18.054 10.919 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.071 16.711 11.974 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.409 17.251 7.100 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.371 17.961 5.833 1.00 0.00 C ATOM 1273 C LYS A 84 -18.639 17.106 4.796 1.00 0.00 C ATOM 1274 O LYS A 84 -19.238 16.665 3.816 1.00 0.00 O ATOM 1275 CB LYS A 84 -18.767 19.355 6.018 1.00 0.00 C ATOM 1276 CG LYS A 84 -19.104 19.919 7.400 1.00 0.00 C ATOM 1277 CD LYS A 84 -19.303 21.435 7.339 1.00 0.00 C ATOM 1278 CE LYS A 84 -18.226 22.162 8.146 1.00 0.00 C ATOM 1279 NZ LYS A 84 -18.174 23.593 7.771 1.00 0.00 N ATOM 0 H LYS A 84 -20.336 16.935 7.384 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.381 18.124 5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -17.685 19.306 5.895 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.145 20.025 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.009 19.445 7.780 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -18.302 19.682 8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -19.272 21.768 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -20.289 21.692 7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.435 22.067 9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.256 21.698 7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.438 24.071 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.952 23.679 6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.095 24.036 7.962 1.00 0.00 H new ATOM 1293 N THR A 85 -17.355 16.898 5.048 1.00 0.00 N ATOM 1294 CA THR A 85 -16.536 16.105 4.148 1.00 0.00 C ATOM 1295 C THR A 85 -17.151 14.718 3.950 1.00 0.00 C ATOM 1296 O THR A 85 -17.270 13.946 4.900 1.00 0.00 O ATOM 1297 CB THR A 85 -15.115 16.064 4.715 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.244 15.317 5.921 1.00 0.00 O ATOM 1299 CG2 THR A 85 -14.630 17.439 5.178 1.00 0.00 C ATOM 0 H THR A 85 -16.862 17.265 5.862 1.00 0.00 H new ATOM 0 HA THR A 85 -16.493 16.552 3.155 1.00 0.00 H new ATOM 0 HB THR A 85 -14.433 15.674 3.959 1.00 0.00 H new ATOM 0 HG1 THR A 85 -14.493 14.692 6.001 1.00 0.00 H new ATOM 0 HG21 THR A 85 -13.617 17.354 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.635 18.130 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.292 17.815 5.958 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.535 14.436 2.676 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.135 13.156 2.341 1.00 0.00 C ATOM 1309 C PRO A 86 -17.080 12.049 2.304 1.00 0.00 C ATOM 1310 O PRO A 86 -17.202 11.046 3.005 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.811 13.378 0.998 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.176 14.629 0.413 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.410 15.326 1.525 1.00 0.00 C ATOM 0 HA PRO A 86 -18.858 12.823 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.664 12.521 0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.887 13.506 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.507 14.370 -0.407 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.940 15.290 0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.365 15.476 1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.829 16.310 1.738 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.067 12.268 1.478 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.991 11.302 1.340 1.00 0.00 C ATOM 1323 C PHE A 87 -13.745 11.757 2.101 1.00 0.00 C ATOM 1324 O PHE A 87 -12.820 12.311 1.509 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.660 11.212 -0.151 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.858 11.455 -1.071 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.780 10.474 -1.261 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.001 12.653 -1.699 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.892 10.700 -2.115 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.113 12.879 -2.553 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.035 11.898 -2.743 1.00 0.00 C ATOM 0 H PHE A 87 -15.969 13.101 0.897 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.300 10.339 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.882 11.939 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.247 10.225 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.667 9.523 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.269 13.432 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.624 9.921 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.226 13.830 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.881 12.070 -3.392 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.760 11.506 3.402 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.642 11.883 4.250 1.00 0.00 C ATOM 1343 C CYS A 88 -12.174 10.639 5.009 1.00 0.00 C ATOM 1344 O CYS A 88 -12.970 9.746 5.295 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.011 13.025 5.198 1.00 0.00 C ATOM 1346 SG CYS A 88 -14.573 12.635 6.069 1.00 0.00 S ATOM 0 H CYS A 88 -14.529 11.046 3.889 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.826 12.260 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.211 13.181 5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.120 13.953 4.637 1.00 0.00 H new ATOM 0 HG CYS A 88 -15.493 13.480 5.710 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.885 10.621 5.314 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.302 9.502 6.034 1.00 0.00 C ATOM 1354 C PHE A 89 -9.350 9.990 7.128 1.00 0.00 C ATOM 1355 O PHE A 89 -8.548 10.895 6.899 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.511 8.678 5.016 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.348 9.436 4.372 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.129 9.453 4.976 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.532 10.092 3.195 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.050 10.156 4.378 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.453 10.795 2.597 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.235 10.812 3.201 1.00 0.00 C ATOM 0 H PHE A 89 -10.228 11.364 5.076 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.088 8.915 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.122 7.787 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.189 8.339 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.982 8.932 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.499 10.078 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.082 10.170 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.600 11.316 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.414 11.347 2.746 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.469 9.370 8.292 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.629 9.729 9.422 1.00 0.00 C ATOM 1374 C VAL A 90 -7.505 8.701 9.564 1.00 0.00 C ATOM 1375 O VAL A 90 -7.765 7.506 9.690 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.481 9.862 10.686 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.660 9.539 11.936 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.103 11.257 10.783 1.00 0.00 C ATOM 0 H VAL A 90 -10.135 8.620 8.478 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.162 10.700 9.257 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.293 9.137 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.289 9.641 12.821 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.287 8.517 11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.819 10.229 12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.704 11.325 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.312 12.007 10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.737 11.434 9.914 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.280 9.205 9.538 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.115 8.345 9.663 1.00 0.00 C ATOM 1390 C ILE A 91 -4.732 8.222 11.139 1.00 0.00 C ATOM 1391 O ILE A 91 -4.169 9.150 11.717 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.978 8.851 8.773 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.220 8.479 7.309 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.623 8.349 9.276 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.102 9.017 6.414 1.00 0.00 C ATOM 0 H ILE A 91 -6.069 10.197 9.432 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.344 7.340 9.308 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.959 9.939 8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.279 7.395 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.178 8.882 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.832 8.723 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.457 8.707 10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.613 7.259 9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.299 8.738 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.061 10.103 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.148 8.593 6.729 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.053 7.069 11.707 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.750 6.813 13.104 1.00 0.00 C ATOM 1409 C ASN A 92 -3.283 6.402 13.237 1.00 0.00 C ATOM 1410 O ASN A 92 -2.812 5.525 12.514 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.611 5.674 13.655 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.421 6.136 14.868 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.994 6.036 16.007 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.611 6.645 14.562 1.00 0.00 N ATOM 0 H ASN A 92 -5.520 6.301 11.224 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.955 7.725 13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.286 5.315 12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.974 4.835 13.937 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.228 6.981 15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.907 6.700 13.587 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.600 7.056 14.165 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.195 6.770 14.401 1.00 0.00 C ATOM 1423 C ALA A 93 -0.961 6.590 15.902 1.00 0.00 C ATOM 1424 O ALA A 93 -1.800 6.025 16.601 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.339 7.891 13.808 1.00 0.00 C ATOM 0 H ALA A 93 -2.993 7.783 14.762 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.904 5.842 13.908 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.715 7.676 13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.520 7.959 12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.601 8.838 14.281 1.00 0.00 H new ATOM 1431 N LEU A 94 0.184 7.081 16.354 1.00 0.00 N ATOM 1432 CA LEU A 94 0.539 6.981 17.759 1.00 0.00 C ATOM 1433 C LEU A 94 -0.711 7.201 18.613 1.00 0.00 C ATOM 1434 O LEU A 94 -1.291 6.247 19.128 1.00 0.00 O ATOM 1435 CB LEU A 94 1.686 7.937 18.091 1.00 0.00 C ATOM 1436 CG LEU A 94 2.750 8.111 17.005 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.011 6.791 16.278 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.368 9.233 16.038 1.00 0.00 C ATOM 0 H LEU A 94 0.878 7.549 15.771 1.00 0.00 H new ATOM 0 HA LEU A 94 0.911 5.982 17.988 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.263 8.916 18.317 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.176 7.584 18.998 1.00 0.00 H new ATOM 0 HG LEU A 94 3.684 8.404 17.485 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.771 6.942 15.511 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.359 6.045 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.089 6.444 15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.141 9.336 15.276 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.418 8.994 15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.273 10.170 16.587 1.00 0.00 H new ATOM 1450 N SER A 95 -1.090 8.465 18.737 1.00 0.00 N ATOM 1451 CA SER A 95 -2.261 8.822 19.520 1.00 0.00 C ATOM 1452 C SER A 95 -2.910 10.082 18.945 1.00 0.00 C ATOM 1453 O SER A 95 -3.559 10.836 19.668 1.00 0.00 O ATOM 1454 CB SER A 95 -1.896 9.037 20.990 1.00 0.00 C ATOM 1455 OG SER A 95 -0.676 9.759 21.137 1.00 0.00 O ATOM 0 H SER A 95 -0.607 9.254 18.308 1.00 0.00 H new ATOM 0 HA SER A 95 -2.972 7.998 19.467 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.700 9.579 21.488 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.808 8.071 21.487 1.00 0.00 H new ATOM 0 HG SER A 95 -0.479 9.877 22.090 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.713 10.272 17.648 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.272 11.428 16.968 1.00 0.00 C ATOM 1463 C GLN A 96 -4.211 10.981 15.846 1.00 0.00 C ATOM 1464 O GLN A 96 -4.330 9.788 15.569 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.164 12.334 16.426 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.257 13.736 17.032 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.161 14.647 16.475 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.138 14.882 17.097 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.431 15.145 15.272 1.00 0.00 N ATOM 0 H GLN A 96 -2.174 9.645 17.051 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.849 12.006 17.690 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.190 11.900 16.653 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.239 12.397 15.340 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.236 14.165 16.817 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.167 13.674 18.117 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.307 14.908 14.807 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.762 15.764 14.815 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.856 11.962 15.231 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.781 11.684 14.146 1.00 0.00 C ATOM 1480 C ARG A 97 -5.666 12.758 13.062 1.00 0.00 C ATOM 1481 O ARG A 97 -6.084 13.897 13.264 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.224 11.634 14.652 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.629 12.965 15.289 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.800 12.777 16.256 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.503 13.440 17.545 1.00 0.00 N ATOM 1486 CZ ARG A 97 -7.672 12.943 18.472 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.051 11.775 18.258 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -7.462 13.615 19.613 1.00 0.00 N ATOM 0 H ARG A 97 -4.756 12.950 15.464 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.520 10.712 13.729 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.895 11.404 13.825 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.330 10.831 15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.778 13.391 15.821 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.906 13.675 14.510 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.710 13.194 15.824 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.982 11.715 16.418 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.959 14.331 17.740 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.211 11.264 17.390 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.419 11.397 18.963 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.935 14.504 19.776 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.830 13.237 20.319 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.096 12.357 11.935 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.920 13.270 10.819 1.00 0.00 C ATOM 1504 C TYR A 98 -6.162 13.289 9.925 1.00 0.00 C ATOM 1505 O TYR A 98 -6.563 12.256 9.393 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.736 12.731 10.015 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.379 12.933 10.694 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.748 14.158 10.624 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.788 11.890 11.377 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.471 14.348 11.262 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.511 12.080 12.016 1.00 0.00 C ATOM 1512 CZ TYR A 98 0.084 13.299 11.927 1.00 0.00 C ATOM 1513 OH TYR A 98 1.290 13.479 12.530 1.00 0.00 O ATOM 0 H TYR A 98 -4.750 11.412 11.771 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.754 14.286 11.177 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.886 11.666 9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.719 13.219 9.041 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.212 14.975 10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.283 10.932 11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.034 15.301 11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.037 11.272 12.554 1.00 0.00 H new ATOM 0 HH TYR A 98 1.564 12.646 12.968 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.735 14.476 9.788 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.923 14.643 8.968 1.00 0.00 C ATOM 1525 C PHE A 99 -7.558 15.160 7.575 1.00 0.00 C ATOM 1526 O PHE A 99 -7.100 16.292 7.429 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.808 15.676 9.667 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.535 15.139 10.901 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.414 14.109 10.778 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.303 15.693 12.122 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.089 13.611 11.923 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -9.978 15.194 13.267 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.857 14.164 13.144 1.00 0.00 C ATOM 0 H PHE A 99 -6.399 15.331 10.231 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.431 13.686 8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.193 16.526 9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.546 16.048 8.956 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.599 13.670 9.809 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.606 16.512 12.220 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.787 12.793 11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.793 15.633 14.236 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.371 13.785 14.015 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.776 14.306 6.586 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.477 14.662 5.209 1.00 0.00 C ATOM 1545 C LEU A 100 -8.744 14.521 4.363 1.00 0.00 C ATOM 1546 O LEU A 100 -9.633 13.738 4.696 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.295 13.842 4.688 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.088 13.736 5.623 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.295 12.633 6.663 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.795 13.541 4.829 1.00 0.00 C ATOM 0 H LEU A 100 -8.156 13.368 6.711 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.165 15.704 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.647 12.835 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.963 14.278 3.746 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.993 14.676 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.423 12.579 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.180 12.856 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.430 11.677 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.953 13.469 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.863 12.625 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.646 14.390 4.162 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.786 15.290 3.285 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.929 15.261 2.389 1.00 0.00 C ATOM 1564 C GLN A 101 -9.492 14.841 0.984 1.00 0.00 C ATOM 1565 O GLN A 101 -8.427 15.242 0.516 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.639 16.616 2.360 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.150 16.448 2.529 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.914 17.431 1.640 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.343 18.286 0.983 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -14.233 17.263 1.656 1.00 0.00 N ATOM 0 H GLN A 101 -8.046 15.937 3.012 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.640 14.524 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.249 17.252 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.429 17.120 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.436 15.427 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.423 16.608 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.646 16.527 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.831 17.870 1.096 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.335 14.039 0.352 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.049 13.560 -0.990 1.00 0.00 C ATOM 1581 C ALA A 102 -10.868 14.366 -2.000 1.00 0.00 C ATOM 1582 O ALA A 102 -11.557 15.316 -1.630 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.338 12.060 -1.070 1.00 0.00 C ATOM 0 H ALA A 102 -11.217 13.708 0.744 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.996 13.702 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.123 11.701 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.710 11.530 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.387 11.879 -0.836 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.767 13.958 -3.257 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.490 14.630 -4.323 1.00 0.00 C ATOM 1591 C ASN A 103 -12.778 13.862 -4.622 1.00 0.00 C ATOM 1592 O ASN A 103 -13.870 14.427 -4.564 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.659 14.679 -5.606 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.897 16.001 -5.717 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.380 16.982 -6.258 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.682 15.972 -5.177 1.00 0.00 N ATOM 0 H ASN A 103 -10.195 13.170 -3.561 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.707 15.647 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.955 13.847 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.311 14.558 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.093 16.805 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.339 15.117 -4.739 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.610 12.586 -4.936 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.746 11.735 -5.244 1.00 0.00 C ATOM 1605 C ASP A 104 -13.869 10.647 -4.175 1.00 0.00 C ATOM 1606 O ASP A 104 -13.117 10.642 -3.201 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.567 11.047 -6.599 1.00 0.00 C ATOM 1608 CG ASP A 104 -12.130 10.640 -6.933 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -11.554 9.878 -6.127 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -11.640 11.101 -7.987 1.00 0.00 O ATOM 0 H ASP A 104 -11.704 12.121 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.638 12.361 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.196 10.157 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -13.930 11.715 -7.380 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.822 9.754 -4.392 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.053 8.664 -3.458 1.00 0.00 C ATOM 1617 C GLN A 105 -13.985 7.582 -3.631 1.00 0.00 C ATOM 1618 O GLN A 105 -13.716 6.818 -2.705 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.457 8.082 -3.632 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.536 6.663 -3.064 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.935 6.073 -3.256 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.933 6.620 -2.818 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -17.951 4.928 -3.934 1.00 0.00 N ATOM 0 H GLN A 105 -15.444 9.762 -5.201 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.982 9.058 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.184 8.720 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.721 8.070 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.799 6.029 -3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.286 6.678 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.078 4.524 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.836 4.455 -4.115 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.406 7.552 -4.822 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.374 6.576 -5.128 1.00 0.00 C ATOM 1634 C LYS A 106 -11.091 6.946 -4.381 1.00 0.00 C ATOM 1635 O LYS A 106 -10.684 6.246 -3.455 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.189 6.448 -6.641 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.370 5.713 -7.278 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.062 5.332 -8.727 1.00 0.00 C ATOM 1639 CE LYS A 106 -12.836 3.824 -8.862 1.00 0.00 C ATOM 1640 NZ LYS A 106 -11.396 3.528 -9.025 1.00 0.00 N ATOM 0 H LYS A 106 -13.632 8.188 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.671 5.586 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.091 7.439 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.265 5.911 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.597 4.815 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.257 6.346 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.887 5.639 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.176 5.868 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.221 3.312 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.391 3.443 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.261 2.501 -9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.039 4.001 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.874 3.874 -8.195 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.490 8.046 -4.810 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.262 8.517 -4.193 1.00 0.00 C ATOM 1656 C ASP A 107 -9.358 8.340 -2.677 1.00 0.00 C ATOM 1657 O ASP A 107 -8.449 7.793 -2.054 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.036 10.003 -4.482 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.569 10.434 -4.536 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.708 9.544 -4.366 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.341 11.646 -4.745 1.00 0.00 O ATOM 0 H ASP A 107 -10.831 8.625 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.434 7.939 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.507 10.249 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.543 10.588 -3.715 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.466 8.812 -2.126 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.692 8.712 -0.694 1.00 0.00 C ATOM 1668 C LEU A 108 -10.437 7.273 -0.241 1.00 0.00 C ATOM 1669 O LEU A 108 -9.569 7.026 0.595 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.086 9.232 -0.334 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.636 8.791 1.024 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.230 7.383 0.944 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.565 8.900 2.111 1.00 0.00 C ATOM 0 H LEU A 108 -11.218 9.265 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.990 9.346 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.063 10.321 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.783 8.911 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.445 9.467 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.614 7.094 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.043 7.372 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.457 6.679 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.982 8.581 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.719 8.263 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.230 9.934 2.189 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.209 6.360 -0.813 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.077 4.953 -0.478 1.00 0.00 C ATOM 1687 C LYS A 109 -9.664 4.481 -0.824 1.00 0.00 C ATOM 1688 O LYS A 109 -8.968 3.921 0.021 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.181 4.136 -1.154 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.272 3.754 -0.151 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.348 2.235 0.024 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.801 1.771 0.152 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.036 1.170 1.484 1.00 0.00 N ATOM 0 H LYS A 109 -11.928 6.568 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.210 4.802 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.617 4.712 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.754 3.235 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.068 4.225 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.235 4.133 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.879 1.743 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.788 1.939 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.473 2.616 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.027 1.043 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.026 0.860 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.407 0.352 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.840 1.875 2.223 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.281 4.724 -2.069 1.00 0.00 N ATOM 1708 CA ASP A 110 -7.963 4.331 -2.538 1.00 0.00 C ATOM 1709 C ASP A 110 -6.916 4.733 -1.497 1.00 0.00 C ATOM 1710 O ASP A 110 -6.158 3.891 -1.017 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.615 5.031 -3.853 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.707 4.978 -4.923 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -9.586 4.099 -4.793 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.639 5.818 -5.846 1.00 0.00 O ATOM 0 H ASP A 110 -9.861 5.189 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.968 3.252 -2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.385 6.075 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.709 4.581 -4.258 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.908 6.019 -1.178 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.967 6.542 -0.203 1.00 0.00 C ATOM 1721 C TRP A 111 -6.065 5.682 1.059 1.00 0.00 C ATOM 1722 O TRP A 111 -5.061 5.158 1.537 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.222 8.027 0.064 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.412 8.969 -0.828 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.858 9.758 -1.815 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.986 9.188 -0.775 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.828 10.468 -2.399 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.654 10.111 -1.747 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.010 8.627 0.066 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.344 10.552 -1.969 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.705 9.078 -0.169 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.355 10.006 -1.143 1.00 0.00 C ATOM 0 H TRP A 111 -7.538 6.714 -1.578 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.947 6.486 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.283 8.234 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.991 8.243 1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.893 9.829 -2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.913 11.133 -3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.247 7.905 0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.109 11.275 -2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.916 8.677 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.324 10.304 -1.262 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.285 5.564 1.562 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.529 4.776 2.758 1.00 0.00 C ATOM 1745 C VAL A 112 -6.900 3.392 2.589 1.00 0.00 C ATOM 1746 O VAL A 112 -6.039 2.997 3.373 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.029 4.720 3.052 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.306 3.949 4.344 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.629 6.126 3.113 1.00 0.00 C ATOM 0 H VAL A 112 -8.116 6.001 1.163 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.060 5.242 3.624 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.511 4.186 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.380 3.924 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.931 2.930 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.805 4.443 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.696 6.057 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.140 6.697 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.479 6.627 2.157 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.356 2.692 1.560 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.849 1.360 1.277 1.00 0.00 C ATOM 1761 C GLU A 113 -5.322 1.383 1.178 1.00 0.00 C ATOM 1762 O GLU A 113 -4.643 0.580 1.815 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.473 0.796 0.000 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.992 0.978 0.005 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.698 -0.289 -0.484 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.670 -1.282 0.274 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.250 -0.235 -1.604 1.00 0.00 O ATOM 0 H GLU A 113 -8.071 3.023 0.912 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.130 0.703 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.046 1.296 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.230 -0.263 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.329 1.221 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.263 1.819 -0.633 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.827 2.312 0.373 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.394 2.450 0.182 1.00 0.00 C ATOM 1776 C ALA A 114 -2.721 2.662 1.539 1.00 0.00 C ATOM 1777 O ALA A 114 -1.714 2.024 1.843 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.116 3.597 -0.792 1.00 0.00 C ATOM 0 H ALA A 114 -5.393 2.976 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.977 1.543 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.040 3.700 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.591 3.384 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.519 4.525 -0.386 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.303 3.560 2.319 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.773 3.864 3.638 1.00 0.00 C ATOM 1786 C LEU A 115 -2.987 2.661 4.559 1.00 0.00 C ATOM 1787 O LEU A 115 -2.367 2.567 5.617 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.378 5.164 4.172 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.989 6.441 3.425 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.037 7.537 3.632 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.587 6.906 3.825 1.00 0.00 C ATOM 0 H LEU A 115 -4.137 4.088 2.063 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.698 4.038 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.464 5.071 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.087 5.275 5.217 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.961 6.218 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.737 8.434 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.002 7.193 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.120 7.765 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.336 7.815 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.562 7.107 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.863 6.127 3.585 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.867 1.772 4.122 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.171 0.579 4.895 1.00 0.00 C ATOM 1805 C ASN A 116 -3.259 -0.562 4.442 1.00 0.00 C ATOM 1806 O ASN A 116 -3.144 -1.579 5.126 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.621 0.139 4.680 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.460 0.386 5.935 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.428 -0.368 6.894 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.211 1.482 5.877 1.00 0.00 N ATOM 0 H ASN A 116 -4.379 1.854 3.244 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.017 0.811 5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.049 0.684 3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.649 -0.920 4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.807 1.734 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.191 2.070 5.044 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.632 -0.357 3.293 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.734 -1.356 2.741 1.00 0.00 C ATOM 1819 C GLN A 117 -0.286 -1.033 3.117 1.00 0.00 C ATOM 1820 O GLN A 117 0.371 -1.817 3.801 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.895 -1.461 1.223 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.249 -2.073 0.857 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.094 -3.133 -0.235 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.105 -3.187 -0.948 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.123 -3.971 -0.326 1.00 0.00 N ATOM 0 H GLN A 117 -2.729 0.487 2.729 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.994 -2.325 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.806 -0.471 0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.092 -2.072 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.701 -2.521 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.926 -1.290 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.920 -3.870 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.115 -4.715 -1.024 1.00 0.00 H new ATOM 1834 N ALA A 118 0.169 0.121 2.653 1.00 0.00 N ATOM 1835 CA ALA A 118 1.527 0.557 2.932 1.00 0.00 C ATOM 1836 C ALA A 118 1.839 0.322 4.411 1.00 0.00 C ATOM 1837 O ALA A 118 2.942 -0.098 4.757 1.00 0.00 O ATOM 1838 CB ALA A 118 1.685 2.024 2.529 1.00 0.00 C ATOM 0 H ALA A 118 -0.378 0.768 2.085 1.00 0.00 H new ATOM 0 HA ALA A 118 2.243 -0.020 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.703 2.351 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.481 2.133 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.984 2.635 3.097 1.00 0.00 H new ATOM 1844 N SER A 119 0.848 0.604 5.245 1.00 0.00 N ATOM 1845 CA SER A 119 1.004 0.428 6.679 1.00 0.00 C ATOM 1846 C SER A 119 0.905 -1.055 7.038 1.00 0.00 C ATOM 1847 O SER A 119 1.883 -1.657 7.479 1.00 0.00 O ATOM 1848 CB SER A 119 -0.046 1.232 7.449 1.00 0.00 C ATOM 1849 OG SER A 119 0.334 1.445 8.805 1.00 0.00 O ATOM 0 H SER A 119 -0.065 0.953 4.955 1.00 0.00 H new ATOM 0 HA SER A 119 1.988 0.799 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.197 2.194 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.000 0.706 7.418 1.00 0.00 H new ATOM 0 HG SER A 119 -0.469 1.508 9.364 1.00 0.00 H new ATOM 1855 N LYS A 120 -0.284 -1.603 6.836 1.00 0.00 N ATOM 1856 CA LYS A 120 -0.523 -3.005 7.133 1.00 0.00 C ATOM 1857 C LYS A 120 -0.163 -3.850 5.910 1.00 0.00 C ATOM 1858 O LYS A 120 0.956 -4.347 5.802 1.00 0.00 O ATOM 1859 CB LYS A 120 -1.958 -3.212 7.623 1.00 0.00 C ATOM 1860 CG LYS A 120 -2.162 -2.585 9.004 1.00 0.00 C ATOM 1861 CD LYS A 120 -1.760 -3.558 10.113 1.00 0.00 C ATOM 1862 CE LYS A 120 -2.953 -4.407 10.557 1.00 0.00 C ATOM 1863 NZ LYS A 120 -2.595 -5.230 11.734 1.00 0.00 N ATOM 0 H LYS A 120 -1.093 -1.101 6.470 1.00 0.00 H new ATOM 0 HA LYS A 120 0.119 -3.336 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -2.656 -2.770 6.912 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -2.181 -4.278 7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.571 -1.673 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -3.207 -2.300 9.127 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -0.959 -4.207 9.759 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -1.368 -3.002 10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -3.796 -3.761 10.801 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -3.272 -5.052 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -3.416 -5.800 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -1.805 -5.860 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -2.312 -4.609 12.519 1.00 0.00 H new ATOM 1877 N SER A 121 -1.134 -3.986 5.018 1.00 0.00 N ATOM 1878 CA SER A 121 -0.933 -4.762 3.806 1.00 0.00 C ATOM 1879 C SER A 121 -2.266 -4.950 3.079 1.00 0.00 C ATOM 1880 O SER A 121 -2.304 -5.011 1.851 1.00 0.00 O ATOM 1881 CB SER A 121 -0.303 -6.120 4.120 1.00 0.00 C ATOM 1882 OG SER A 121 0.954 -6.289 3.470 1.00 0.00 O ATOM 0 H SER A 121 -2.062 -3.572 5.111 1.00 0.00 H new ATOM 0 HA SER A 121 -0.247 -4.215 3.159 1.00 0.00 H new ATOM 0 HB2 SER A 121 -0.170 -6.217 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 121 -0.981 -6.915 3.810 1.00 0.00 H new ATOM 0 HG SER A 121 1.324 -7.167 3.697 1.00 0.00 H new ATOM 1888 N GLY A 122 -3.327 -5.037 3.868 1.00 0.00 N ATOM 1889 CA GLY A 122 -4.659 -5.218 3.314 1.00 0.00 C ATOM 1890 C GLY A 122 -4.798 -6.592 2.657 1.00 0.00 C ATOM 1891 O GLY A 122 -3.813 -7.314 2.505 1.00 0.00 O ATOM 0 H GLY A 122 -3.292 -4.986 4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -5.403 -5.112 4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.860 -4.438 2.580 1.00 0.00 H new ATOM 1895 N PRO A 123 -6.061 -6.922 2.276 1.00 0.00 N ATOM 1896 CA PRO A 123 -6.341 -8.197 1.639 1.00 0.00 C ATOM 1897 C PRO A 123 -5.864 -8.201 0.185 1.00 0.00 C ATOM 1898 O PRO A 123 -5.237 -7.245 -0.268 1.00 0.00 O ATOM 1899 CB PRO A 123 -7.845 -8.381 1.771 1.00 0.00 C ATOM 1900 CG PRO A 123 -8.409 -6.999 2.059 1.00 0.00 C ATOM 1901 CD PRO A 123 -7.251 -6.092 2.440 1.00 0.00 C ATOM 0 HA PRO A 123 -5.809 -9.026 2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -8.270 -8.794 0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -8.085 -9.076 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -8.927 -6.608 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -9.139 -7.046 2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -7.211 -5.211 1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -7.347 -5.736 3.466 1.00 0.00 H new ATOM 1909 N SER A 124 -6.180 -9.286 -0.506 1.00 0.00 N ATOM 1910 CA SER A 124 -5.792 -9.427 -1.899 1.00 0.00 C ATOM 1911 C SER A 124 -6.522 -10.614 -2.529 1.00 0.00 C ATOM 1912 O SER A 124 -7.109 -11.432 -1.822 1.00 0.00 O ATOM 1913 CB SER A 124 -4.278 -9.603 -2.033 1.00 0.00 C ATOM 1914 OG SER A 124 -3.808 -10.743 -1.319 1.00 0.00 O ATOM 0 H SER A 124 -6.701 -10.077 -0.127 1.00 0.00 H new ATOM 0 HA SER A 124 -6.073 -8.515 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 124 -4.016 -9.702 -3.087 1.00 0.00 H new ATOM 0 HB3 SER A 124 -3.775 -8.710 -1.662 1.00 0.00 H new ATOM 0 HG SER A 124 -2.838 -10.822 -1.431 1.00 0.00 H new ATOM 1920 N SER A 125 -6.463 -10.671 -3.851 1.00 0.00 N ATOM 1921 CA SER A 125 -7.112 -11.745 -4.584 1.00 0.00 C ATOM 1922 C SER A 125 -6.493 -13.090 -4.198 1.00 0.00 C ATOM 1923 O SER A 125 -7.189 -13.980 -3.712 1.00 0.00 O ATOM 1924 CB SER A 125 -7.003 -11.525 -6.094 1.00 0.00 C ATOM 1925 OG SER A 125 -8.066 -12.156 -6.803 1.00 0.00 O ATOM 0 H SER A 125 -5.976 -9.991 -4.434 1.00 0.00 H new ATOM 0 HA SER A 125 -8.170 -11.749 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.010 -10.456 -6.306 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.049 -11.914 -6.449 1.00 0.00 H new ATOM 0 HG SER A 125 -7.962 -11.991 -7.763 1.00 0.00 H new ATOM 1931 N GLY A 126 -5.193 -13.195 -4.428 1.00 0.00 N ATOM 1932 CA GLY A 126 -4.473 -14.417 -4.111 1.00 0.00 C ATOM 1933 C GLY A 126 -3.010 -14.321 -4.548 1.00 0.00 C ATOM 1934 O GLY A 126 -2.550 -13.256 -4.958 1.00 0.00 O ATOM 0 H GLY A 126 -4.619 -12.454 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.524 -14.606 -3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.949 -15.263 -4.607 1.00 0.00 H new TER 1938 GLY A 126